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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL29229419 | 0.98 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRGAANPC1 | |
| SCHEMBL2696567 | 0.98 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRGAANPC1 | |
| SCHEMBL2695436 | 0.98 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRGAANPC1 | |
| SCHEMBL31097913 | 0.98 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRGAANPC1 | |
| SCHEMBL339284 | 0.98 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRGAANPC1 | |
| SCHEMBL27510642 | 0.88 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TSHRGAANPC1 | |
| SCHEMBL3615410 | 0.85 | CA2 (0.48) | ALDH1A1SMN1; SMN2TSHRNPC1RAB9A | |
| SCHEMBL2207056 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRGAANPC1 | |
| SCHEMBL71815 | 0.79 | CYP2C9 (0.61) | ALDH1A1SMN1; SMN2TSHRGAANPC1 | |
| SCHEMBL11529757 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TSHRGAANPC1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115297858-B | Pharmaceutical composition for treating hypertrophic cardiomyopathy and treatment method using the same | 赛特瑞恩股份有限公司 | 2024-08-13 | — | — | CN | claimed |
| CN-115297858-A | Pharmaceutical composition for treating hypertrophic cardiomyopathy and treatment method using same | 赛特瑞恩股份有限公司 | 2022-11-04 | — | — | CN | claimed |
| EP-0983251-B1 | ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF | PFIZER LTD (GB) | 2004-06-23 | — | — | EP | disclosed |
| US-6514975-B1 | Tetrazoles as selective agonists for the delta opioid receptor | PFIZER INC | 2003-02-04 | — | — | US | disclosed |
| US-6200978-B1 | FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS | PFIZER INC. | 2001-03-13 | — | — | US | disclosed |
| EP-0983251-A1 | ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF | Pfizer Limited (GB) | 2000-03-08 | — | — | EP | disclosed |
| US-5925771-A | Process for the preparation of (-)-3,4-trans-diarylchromans | NOVO NORDISK A/S (DK) | 1999-07-20 | — | — | US | disclosed |
| WO-1998052929-A1 | ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF | PFIZER LIMITED (GB) | 1998-11-26 | — | — | WO | disclosed |
| US-5721243-A | ANTICHOLINERGIC AGENTS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1998-02-24 | — | — | US | disclosed |
| US-5358712-A | For binding to receptors when monitoring for cholinergic innervation in living brains, detection of Alzheimer*s disease | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 1994-10-25 | — | — | US | disclosed |