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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.52 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.52 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.52 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.52 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.52 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.52 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.52 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.52 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.49 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29812612 | 0.98 | RAB9A (0.55) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| SCHEMBL54329 | 0.98 | RAB9A (0.55) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| SCHEMBL11740091 | 0.95 | RAB9A (0.53) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL28286069 | 0.95 | RAB9A (0.53) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| Methane SCHEMBL29136468 | 0.95 | RAB9A (0.53) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| Phosphoric Acid SCHEMBL5146526 | 0.88 | DDAH1 (0.59) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| SCHEMBL11162902 | 0.82 | RAB9A (0.47) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| Aminothiazole SCHEMBL9081032 | 0.79 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| SCHEMBL8032061 | 0.75 | RAB9A (0.56) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| SCHEMBL827403 | 0.73 | RAB9A (0.67) | ALDH1A1RAB9ANPC1MAPTKDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101802107-A | Dye composition comprising at least one colourless disulfide/thiol precursor and dyeing process using said composition | OREAL | 2010-08-11 | — | — | CN | claimed |
| CN-101802107-A | Dye composition comprising at least one colourless disulfide/thiol precursor and dyeing process using said composition | OREAL | 2010-08-11 | — | — | CN | disclosed |
| US-5846942-A | Cholecystokinin antagonists, their preparation and therapeutic use | WARNER-LAMBERT COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| US-5593967-A | Cholecystokinin antagonists, their preparation and therapeutic use | WARNER-LAMBERT COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0547178-A4 | NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE | WARNER LAMBERT CO (US) | 1994-07-06 | — | — | EP | disclosed |
| EP-0547178-A1 | NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE | WARNER-LAMBERT COMPANY (US) | 1993-06-23 | — | — | EP | disclosed |
| WO-1992004045-A1 | NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE | WARNER-LAMBERT COMPANY (US) | 1992-03-19 | — | — | WO | disclosed |
| US-4757151-A | Pharmaceuticals | WARNER-LAMBERT COMPANY (US) | 1988-07-12 | — | — | US | disclosed |
| EP-0224151-A2 | 2-Substituted-[2-substituted-amino]-N-aralkyl-3-[indol-3-yl]propanamides | WARNER-LAMBERT COMPANY (US) | 1987-06-03 | — | — | EP | disclosed |