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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.42 |
| ▸ | HTR4 known ✓ | Q13639 | 6/20 | 0.41 |
| ▸ | KCNK3 known ✓ | O14649 | 1/20 | 0.36 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
| ▸ | WNT3A | P56704 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11265610 | 0.99 | HDAC3 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Phosphoric Acid SCHEMBL11259901 | 0.96 | HDAC3 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11356296 | 0.95 | HTR4 (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL11265733 | 0.94 | HTR4 (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11366385 | 0.82 | KCNA5 (0.34) | KCNK3MEN1KMT2AKDM4EHPGD | |
| Hydrochloric Acid SCHEMBL11258194 | 0.82 | KCNA5 (0.34) | KCNK3MEN1KMT2AKDM4EHPGD | |
| SCHEMBL11364643 | 0.81 | CTNNB1 (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11270721 | 0.81 | KCNA5 (0.35) | KCNK3MEN1KMT2AKDM4EHPGD | |
| SCHEMBL11273604 | 0.80 | SSTR4 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Phosphoric Acid SCHEMBL11265110 | 0.79 | CTNNB1 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-4323503-A | PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) | 1982-04-06 | — | — | US | disclosed |
| US-4306072-A | ANXIOLYTIC AND PSYCHOSTIMULANT ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE (FR) | 1981-12-15 | — | — | US | disclosed |
| US-4268512-A | ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) | 1981-05-19 | — | — | US | disclosed |
| US-4255580-A | TREATMENT OF PSYCHOLOGICAL DISORDERS | SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) | 1981-03-10 | — | — | US | disclosed |
| US-4248885-A | FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) | 1981-02-03 | — | — | US | disclosed |
| US-4186135-A | TREATMENT OF PSYCHOLOGICAL DISORDERS | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) | 1980-01-29 | — | — | US | disclosed |