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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.57 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.47 |
| ▸ | KCNK3 known ✓ | O14649 | 1/20 | 0.45 |
| ▸ | KCNK9 known ✓ | Q9NPC2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 4/20 | 0.51 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3045995 | 0.98 | ALDH1A1 (0.59) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL31167601 | 0.83 | ALDH1A1 (0.71) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL503007 | 0.83 | TDP1 (0.68) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL11045034 | 0.80 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL3187747 | 0.80 | ALDH1A1 (0.57) | ALDH1A1GAAMAPTHPGDHTT | |
| Water SCHEMBL11567036 | 0.78 | CA12 (0.57) | ALDH1A1PARP1MAPK1TDP1KDM4E | |
| SCHEMBL8217879 | 0.77 | HTT (0.58) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL3671008 | 0.77 | ALDH1A1 (0.63) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL29273761 | 0.77 | ALDH1A1 (0.68) | ALDH1A1GAAMAPTHPGDHTT | |
| SCHEMBL2904745 | 0.77 | ALDH1A1 (0.54) | ALDH1A1GAAMAPTHPGDHTT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4598923-A1 | SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS | The Regents of the University of California (US) | 2025-08-13 | — | — | EP | disclosed |
| US-20240199604-A1 | SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2024-06-20 | — | — | US | disclosed |
| US-20240197682-A1 | METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2024-06-20 | — | — | US | disclosed |
| US-20240201205-A1 | METHOD FOR DETECTING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2024-06-20 | — | — | US | disclosed |
| CN-112979523-B | Preparation method of chiral 1, 4-diphenyl-2-hydroxy-1, 4-dibutyl ketone compound | 中国科学技术大学 | 2024-05-28 | — | — | CN | disclosed |
| WO-2024059845-A1 | SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2024-03-21 | — | — | WO | disclosed |
| US-5502078-A | Chemical compounds | ZENECA LIMITED (GB) | 1996-03-26 | — | — | US | disclosed |
| EP-0516350-B1 | 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists | ZENECA LTD (GB) | 1995-09-20 | — | — | EP | disclosed |
| US-5216170-A | Promoters of livestock; treatment of obesity | BAYER AKTIENGESELLSCHAFT (DE) | 1993-06-01 | — | — | US | disclosed |
| CN-1069022-A | 4-[2-(2-hydroxyl-2-benzene ethylamino) oxyethyl group that is used for the treatment of obesity and correlation behavior] phenylacetic acid derivatives | ICI PLC (GB) | 1993-02-17 | — | — | CN | disclosed |
| EP-0516350-A2 | 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists | ZENECA LIMITED (GB) | 1992-12-02 | — | — | EP | disclosed |
| US-5028617-A | Heteroarylethanol-pyridylalkylamines for controlling animal growth | BAYER AKTIENGESELLSCHAFT (DE) | 1991-07-02 | — | — | 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 (2 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-20240199604-A1 | SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS | MAPT, HTT, PSEN1 | PARP1 43/4885HDAC4 1408/4885HDAC1 2153/4885 |
| US-20240197682-A1 | METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS | PRNP, PSEN1, SNCA | PARP1 2698/4885HDAC4 4683/4885HDAC1 4364/4885 |
“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.