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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | MGAM | O43451 | 1/20 | 0.56 |
| ▸ | SI | P14410 | 1/20 | 0.56 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1838345 | 0.98 | — | — | |
| Methylene Chloride SCHEMBL6622278 | 0.94 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL391332 | 0.93 | GAA (0.65) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethyl Acetate SCHEMBL3485430 | 0.92 | ALDH1A1 (0.56) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hexane SCHEMBL4626670 | 0.92 | GAA (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28234269 | 0.90 | GAA (0.62) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27917473 | 0.90 | GAA (0.62) | GAAMGAMSIMGAM2ALDH1A1 | |
| Water SCHEMBL8496176 | 0.86 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| Water SCHEMBL5636608 | 0.85 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL25312329 | 0.84 | GAA (0.54) | GAAMGAMSIMGAM2ALDH1A1 |
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 493 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240217991-A1 | COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS | GENZYME CORPORATION (US) | 2024-07-04 | — | — | US | disclosed |
| WO-2024042007-A1 | SUBSTITUTED BICYCLES AS HSET INHIBITORS | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | WO | disclosed |
| US-20230339939-A1 | SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2023-10-26 | — | — | US | disclosed |
| US-20220396588-A1 | COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS | GENZYME CORPORATION (US) | 2022-12-15 | — | — | US | disclosed |
| CN-107922396-B | Colony stimulating factor-1 receptor (CSF-1R) inhibitors | 建新公司 | 2022-08-05 | — | — | CN | disclosed |
| US-11274108-B2 | Colony stimulating factor-1 receptor (CSF-1R) inhibitors | GENZYME CORPORATION (US) | 2022-03-15 | — | — | US | disclosed |
| US-20210101863-A1 | Substituted Phenethylamines with Serotoninergic and/or Norepinephrinergic Activity | ACADIA PHARMACEUTICALS INC. | 2021-04-08 | — | — | US | disclosed |
| US-RE48097-E1 | Cephem compounds, their production and use | NAEJA-RGM PHARMACEUTICALS ULC (CA) | 2020-07-14 | — | — | US | disclosed |
| US-20200172469-A1 | Substituted Phenethylamines with Serotoninergic and/or Norepinephrinergic Activity | ACADIA PHARMACEUTICALS INC. | 2020-06-04 | — | — | US | disclosed |
| US-20200060995-A1 | Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity | ACADIA PHARMACEUTICALS INC. | 2020-02-27 | — | — | US | disclosed |
| US-4338328-A | HISTAMINE H-2 RECEPTOR ANTAGONISTS | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1982-07-06 | — | — | US | disclosed |
| US-4335135-A | 5 Amino-3,4,5,6 tetrahydro-1H-[-6-]cyclohept[c,d]indolols and a method for their use as hypotensives | ROUSSEL UCLAF (FR) | 1982-06-15 | — | — | US | disclosed |
| EP-0049618-A1 | Improvements in or relating to 2,4-disubstituted thiazole derivatives | ELI LILLY AND COMPANY (US) | 1982-04-14 | — | — | EP | disclosed |
| US-4318910-A | Indolobenzoxazines | ROUSSEL UCLAF (FR) | 1982-03-09 | — | — | US | disclosed |
| US-4273855-A | Photographic diffusion transfer process and material for the production of color images and suitable compounds therefor | AGFA-GEVAERT N.V. (BE) | 1981-06-16 | — | — | US | disclosed |
| US-4255425-A | ANTIHESTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-03-10 | — | — | US | disclosed |
| US-4140783-A | INHIBITORS OF HISTAMINE H-2 RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-02-20 | — | — | US | disclosed |
| US-4136159-A | RADIOASSAY OF FOLATES | NEW ENGLAND NUCLEAR CORPORATION (US) | 1979-01-23 | — | — | US | disclosed |
| US-4104379-A | DOPAMINERGIC ACTIVITY | SMITHKLINE CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |
| US-4056620-A | INHIBITION OF HISTAMINE H-2 RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-11-01 | — | — | 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 (7 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-11274108-B2 | Colony stimulating factor-1 receptor (CSF-1R) inhibitors | CSF1R, CSF3R, IL1RN | GAA 2307/4885MGAM 2806/4885SI 4760/4885 |
| US-20200060995-A1 | Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity | SLC6A4, HTR4, GPR34 | GAA 1478/4885MGAM 3377/4885SI 119/4885 |
| US-20200172469-A1 | Substituted Phenethylamines with Serotoninergic and/or Norepinephrinergic Activity | SLC6A4, HTR4, GPR34 | GAA 1196/4885MGAM 3104/4885SI 49/4885 |
| US-20240217991-A1 | COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS | CSF1R, CSF3R, IL1RN | GAA 2307/4885MGAM 2806/4885SI 4760/4885 |
| US-20210101863-A1 | Substituted Phenethylamines with Serotoninergic and/or Norepinephrinergic Activity | SLC6A4, HTR4, GPR34 | GAA 1196/4885MGAM 3104/4885SI 49/4885 |
| US-20220396588-A1 | COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS | CSF1R, CSF3R, IL1RN | GAA 2307/4885MGAM 2806/4885SI 4760/4885 |
| US-20230339939-A1 | SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF | CYP1B1, CYP4B1, CYP2C19 | GAA 329/4885MGAM 2342/4885SI 1399/4885 |
“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.