Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL981312 | 0.76 | DYRK1A (0.69) | DYRK1ADYRK1BCLK1BRD4CREBBP | |
| SCHEMBL12474393 | 0.70 | NFKB1 (0.41) | DYRK1ADYRK1BCLK1NFKB1NFKB2 | |
| SCHEMBL118039 | 0.70 | CHRNB2 (0.46) | NFKB1NFKB2RELAALDH1A1CYP1A2 | |
| SCHEMBL3069464 | 0.69 | ALDH1A1 (0.47) | ALDH1A1CYP1A2LMNAHPGDCHRNB2 | |
| Water SCHEMBL87641 | 0.68 | ALDH1A1 (0.57) | DYRK1ADYRK1BALDH1A1CYP1A2LMNA | |
| SCHEMBL7939095 | 0.67 | HPGD (0.41) | NFKB1NFKB2RELAALDH1A1CYP1A2 | |
| Water SCHEMBL1007359 | 0.66 | CYP1A2 (0.50) | ALDH1A1CYP1A2LMNAMAPTHPGD | |
| SCHEMBL979528 | 0.66 | ALDH1A1 (0.53) | DYRK1ADYRK1BCLK1ALDH1A1CYP1A2 | |
| SCHEMBL3056491 | 0.66 | ALDH1A1 (0.59) | DYRK1ADYRK1BALDH1A1CYP1A2LMNA | |
| SCHEMBL19532092 | 0.64 | NFKB1 (0.58) | NFKB1NFKB2RELAALDH1A1CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 283 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12018048-B2 | Anthelmintic depsipeptide compounds | Boehringer Ingelheim Animal Health USA Inc. (US) | 2024-06-25 | — | — | US | disclosed |
| US-11773066-B2 | Indazolylcyanoethylamino compound, compositions of same, method of making, and methods of using thereof | Boehringer Ingelheim Animal Health USA Inc. (US) | 2023-10-03 | — | — | US | disclosed |
| EP-3397638-B1 | ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS | BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) | 2023-08-23 | — | — | EP | disclosed |
| US-20230219974-A1 | ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS | BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) | 2023-07-13 | — | — | US | disclosed |
| US-11589586-B2 | Pesticidal and parasiticidal pyrazole-isoxazoline compounds | Boehringer Ingelheim Animal Health USA Inc. (US) | 2023-02-28 | — | — | US | disclosed |
| US-11583545-B2 | Parasiticidal compositions comprising eprinomectin and praziquantel, methods and uses thereof | Boehringer Ingelheim Animal Health USA Inc. (US) | 2023-02-21 | — | — | US | disclosed |
| US-11560388-B2 | Anthelmintic aza-benzothiophene and aza-benzofuran compounds | BOEHRINGER INGELHEIM VETMEDICA GMBH | 2023-01-24 | — | — | US | disclosed |
| EP-3668866-B1 | PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS | BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) | 2023-01-18 | — | — | EP | disclosed |
| US-11382949-B2 | Anthelmintic depsipeptide compounds | Boehringer Ingelheim Animal Health USA Inc. (US) | 2022-07-12 | — | — | US | disclosed |
| US-20220168278-A1 | LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST | VIRBAC (FR) | 2022-06-02 | — | — | US | disclosed |
| US-20050137244-A1 | Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz | MERIAL, INC. | 2005-06-23 | — | — | US | disclosed |
| US-20050064032-A1 | Dosage form, device, and methods of treatment | ELI LILLY AND COMPANY | 2005-03-24 | — | — | US | disclosed |
| US-6797724-B2 | TO ELIMINATE BOOPHILUS MICROPLUS IN CATTLE AND LICE AND BLOWFLY IN SHEEP | MERIAL (FR) | 2004-09-28 | — | — | US | disclosed |
| EP-1448151-A1 | DOSAGE FORM, DEVICE AND METHODS OF TREATMENT | ELI LILLY AND COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2004043446-A2 | COMBINATION PRODUCT FOR CONTROLLING INSECT PESTS | NOVARTIS AG (CH) | 2004-05-27 | — | — | WO | disclosed |
| WO-2003033031-A1 | DOSAGE FORM, DEVICE AND METHODS OF TREATMENT | ELI LILLY AND COMPANY (US) | 2003-04-24 | — | — | WO | disclosed |
| US-20020155147-A1 | Direct pour-on antiparasitic skin solution and methods for treating, preventing and controlling myasis | MERIAL (FR) | 2002-10-24 | — | — | US | disclosed |
| US-6413542-B1 | TOPICAL SOLUTION OF A PYRAZOLE COMPOUND OF GIVEN FORMULA; CONTROLLING TICKS: ELIMINATION OF BOOPHILUS MICROPLUS IN LESS THAN 2 DAYS, FOR CATTLE, SHEEP | MERIAL (FR) | 2002-07-02 | — | — | US | disclosed |
| US-20020081327-A1 | DIRECT POUR-ON ANTIPARASITIC SKIN SOLUTION AND METHODS FOR TREATING, PREVENTING AND CONTROLLING MYASIS | MERIAL (FR) | 2002-06-27 | — | — | US | disclosed |
| US-6010710-A | CONTROLLING TICKS WITH FIPRONIL | MERIAL (FR) | 2000-01-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11589586-B2 | Pesticidal and parasiticidal pyrazole-isoxazoline compounds | PRDX1, PRDX5, P2RX7 | PIK3CA 2061/4885DYRK1A 1443/4885DYRK1B 1683/4885 |
| US-12018048-B2 | Anthelmintic depsipeptide compounds | VIP, DNPEP, DPEP1 | PIK3CA 3130/4885DYRK1A 4282/4885DYRK1B 4415/4885 |
| US-11560388-B2 | Anthelmintic aza-benzothiophene and aza-benzofuran compounds | TPMT, NAT1, HNMT | PIK3CA 4261/4885DYRK1A 3087/4885DYRK1B 3323/4885 |
| US-11382949-B2 | Anthelmintic depsipeptide compounds | ENPP2, ROCK2, RRP12 | PIK3CA 2568/4885DYRK1A 490/4885DYRK1B 682/4885 |
| US-20220168278-A1 | LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST | P2RX7, CAT, PDE8A | PIK3CA 732/4885DYRK1A 801/4885DYRK1B 1072/4885 |
| US-11583545-B2 | Parasiticidal compositions comprising eprinomectin and praziquantel, methods and uses thereof | EPHX1, GPX4, EPX | PIK3CA 908/4885DYRK1A 4146/4885DYRK1B 4332/4885 |
| US-20230219974-A1 | ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS | TPMT, NAT1, HNMT | PIK3CA 4261/4885DYRK1A 3087/4885DYRK1B 3323/4885 |
| US-20050137244-A1 | Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz | MGAT2, MGAT1, MIF | PIK3CA 3822/4885DYRK1A 1280/4885DYRK1B 987/4885 |
| US-11773066-B2 | Indazolylcyanoethylamino compound, compositions of same, method of making, and methods of using thereof | ACHE, DDT, NOTUM | PIK3CA 1204/4885DYRK1A 1999/4885DYRK1B 2326/4885 |
| US-20020081327-A1 | DIRECT POUR-ON ANTIPARASITIC SKIN SOLUTION AND METHODS FOR TREATING, PREVENTING AND CONTROLLING MYASIS | MMP1, PIGS, MC1R | PIK3CA 4875/4885DYRK1A 1236/4885DYRK1B 1586/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.