Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
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 | |
|---|---|---|---|---|
| Water SCHEMBL11050952 | 0.95 | — | — | |
| Water SCHEMBL11108614 | 0.95 | — | — | |
| SCHEMBL1501795 | 0.94 | — | — | |
| SCHEMBL1471 | 0.94 | — | — | |
| Potassium Ion SCHEMBL5075237 | 0.89 | — | — | |
| SCHEMBL10941384 | 0.89 | — | — | |
| Water SCHEMBL3966167 | 0.89 | — | — | |
| SCHEMBL191104 | 0.89 | — | — | |
| Water SCHEMBL5444358 | 0.89 | — | — | |
| Water SCHEMBL6507061 | 0.89 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11401234-B2 | Deuterated compounds and uses thereof | OncoTherics Ventures Limited (GB) | 2022-08-02 | — | — | US | disclosed |
| US-20200270200-A1 | DEUTERATED COMPOUNDS AND USES THEREOF | OncoTherics Ventures Limited (GB) | 2020-08-27 | — | — | US | disclosed |
| US-10385009-B2 | Deuterated compounds and uses thereof | BIOSTATUS LIMITED (GB) | 2019-08-20 | — | — | US | disclosed |
| EP-2882708-B1 | NEW COMPOUNDS AND USES THEREOF | BIOSTATUS LTD (GB) | 2018-10-03 | — | — | EP | disclosed |
| US-20150307441-A1 | NEW COMPOUNDS AND USES THEREOF | BIOSTATUS LIMITED (GB) | 2015-10-29 | — | — | US | disclosed |
| EP-2882708-A1 | NEW COMPOUNDS AND USES THEREOF | Biostatus Limited (GB) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023956-A1 | NEW COMPOUNDS AND USES THEREOF | BIOSTATUS LIMITED (GB) | 2014-02-13 | — | — | WO | disclosed |
| EP-0450021-B1 | ANTI-CANCER COMPOUNDS | BRITISH TECH GROUP (GB) | 1994-02-02 | — | — | EP | disclosed |
| US-5132327-A | ANTI-CANCER COMPOUNDS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-07-21 | — | — | US | disclosed |
| EP-0450021-A1 | ANTI-CANCER COMPOUNDS. | NAT RES DEV (GB) | 1991-10-09 | — | — | EP | disclosed |
| WO-1991005824-A1 | ANTI-CANCER COMPOUNDS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-05-02 | — | — | WO | disclosed |
| US-4799278-A | ROLLING, LOOPS, DYEING | BEEH HANS A (AR) | 1989-01-24 | — | — | US | disclosed |