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 | 2/20 | 0.52 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.52 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.52 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.52 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.52 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.52 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.52 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.52 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.39 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.39 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.37 |
| ▸ | HTR4 known ✓ | Q13639 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3313702 | 0.98 | ADRA2A (0.53) | ADRA2ADRD3TSHRLMNADRD2 | |
| SCHEMBL29510768 | 0.98 | ADRA2A (0.53) | ADRA2ADRD3TSHRLMNADRD2 | |
| Ethylene Glycol SCHEMBL29225457 | 0.94 | ADRA2A (0.50) | ADRA2ADRD3TSHRLMNADRD2 | |
| SCHEMBL13395713 | 0.89 | TSHR (0.47) | ADRA2ADRD3TSHRLMNADRD2 | |
| SCHEMBL7377119 | 0.89 | KDM4E (0.47) | ADRA2ADRD3TSHRLMNADRD2 | |
| SCHEMBL24694102 | 0.87 | DRD2 (0.53) | ADRA2ADRD3TSHRLMNADRD2 | |
| SCHEMBL28430952 | 0.86 | LMNA (0.52) | ADRA2ADRD3TSHRLMNADRD2 | |
| SCHEMBL12070949 | 0.85 | GAA (0.57) | ADRA2ADRD3TSHRLMNADRD2 | |
| SCHEMBL31376269 | 0.85 | GAA (0.57) | ADRA2ADRD3TSHRLMNADRD2 | |
| SCHEMBL28339029 | 0.85 | DRD2 (0.52) | ADRA2ADRD3TSHRLMNADRD2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6187807-B1 | ADMINISTERING (S)(-)-AMISULPRIDE OR SALT THEREOF FREE OF THE (R)-(+)-STEREOISOMER, TO ELICIT ANTIPSYCHOTIC PROPERTIES IN A PATIENT | SANOFI-SYNTHELABO (FR) | 2001-02-13 | — | — | US | disclosed |
| US-6169094-B1 | ANTIPSYCHOTIC AGENTS | SANOFI-SYNTHELABO (FR) | 2001-01-02 | — | — | US | disclosed |
| US-4816471-A | NERVOUS SYSTEM DISORDERS | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILLE-DE FRANCE (FR) | 1989-03-28 | — | — | US | disclosed |
| US-4673686-A | CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) | 1987-06-16 | — | — | US | disclosed |
| US-4401822-A | ANISEROTONINE AGENTS; APOMORPHINE ANTAGONIST | SOCIETE DE'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE FRANCE (FR) | 1983-08-30 | — | — | US | disclosed |
| US-4294828-A | ANTIEMETIC AND ANTISEROTONIN | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE DE-FRANCE (FR) | 1981-10-13 | — | — | US | disclosed |