Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL673666 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL6872024 | 0.84 | ALDH1A1 (0.54) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL10737946 | 0.84 | ALDH1A1 (0.54) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Iodide SCHEMBL11529497 | 0.84 | ALDH1A1 (0.54) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Fluoride SCHEMBL10906672 | 0.84 | ALDH1A1 (0.54) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Bromide SCHEMBL11529009 | 0.84 | ALDH1A1 (0.54) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Bromide SCHEMBL11530027 | 0.84 | ALDH1A1 (0.54) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL11532585 | 0.84 | ALDH1A1 (0.54) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL30096004 | 0.81 | CA2 (0.57) | CA2ALDH1A1MAPK1TSHRCYP3A4 | |
| Acetic Acid SCHEMBL1257694 | 0.81 | ALDH1A1 (0.78) | CA2ALDH1A1MAPK1TSHRCYP3A4 |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3851489-A1 | MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT | BRIDGESTONE CORPORATION (JP) | 2021-07-21 | — | — | EP | disclosed |
| WO-2020054484-A1 | MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT | 株式会社ブリヂストン | 2020-03-19 | — | — | WO | disclosed |
| US-10550203-B2 | Polymers functionalized with heterocyclic nitrile compounds | BRIDGESTONE CORPORATION (JP) | 2020-02-04 | — | — | US | disclosed |
| US-10131722-B2 | Method for preparing terminal-modified conjugated diene polymer, terminal-modified conjugated diene polymer, rubber composition and tire | BRIDGESTONE CORPORATION (JP) | 2018-11-20 | — | — | US | disclosed |
| US-20180319905-A1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS | BRIDGESTONE CORPORATION (JP) | 2018-11-08 | — | — | US | disclosed |
| US-20170275400-A1 | METHOD FOR PREPARING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION AND TIRE | BRIDGESTONE CORPORATION (JP) | 2017-09-28 | — | — | US | disclosed |
| EP-3029074-B1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS | BRIDGESTONE CORP (JP) | 2017-08-02 | — | — | EP | disclosed |
| EP-3184554-A1 | METHOD FOR MANUFACTURING CONJUGATED DIENE POLYMER WITH MODIFIED END, CONJUGATED DIENE POLYMER WITH MODIFIED END, RUBBER COMPOSITION, AND TIRE | Bridgestone Corporation (JP) | 2017-06-28 | — | — | EP | disclosed |
| US-20170015760-A1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS | BRIDGESTONE CORPORATION (JP) | 2017-01-19 | — | — | US | disclosed |
| US-9469741-B2 | Polymers functionalized with heterocyclic nitrile compounds | BRIDGESTONE CORPORATION (JP) | 2016-10-18 | — | — | US | disclosed |
| EP-1683832-A1 | THERMOPLASTIC ELASTOMER COMPOSITION AND MOLDING THEREOF | JSR Corporation (JP) | 2006-07-26 | — | — | EP | disclosed |
| EP-1026181-B1 | Method of producing conjugated diene polymer | JSR CORP (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-20040147694-A1 | Method of producing conjugated diene polymers with narrow molecular weight distribution and polymer produced | JSR CORPORATION | 2004-07-29 | — | — | US | disclosed |
| EP-0957115-B1 | Method for producing conjugated diene polymers | JSR CORP (JP) | 2003-12-03 | — | — | EP | disclosed |
| EP-0863165-B1 | Method of producing conjugated diene polymers | JSR CORP (JP) | 2003-06-04 | — | — | EP | disclosed |
| US-6391990-B1 | Method of producing conjugated diene polymer | JSR CORPORATION (JP) | 2002-05-21 | — | — | US | disclosed |
| US-6255416-B1 | POLYMERIZING CONJUGATED DIENE COMPOUND WITH CATALYST CONSISTING ESSENTIALLY OF COMPOUND CONTAINING RARE EARTH ELEMENT, ALUMOXANE, ORGANOALUMINUM COMPOUND, REACTION PRODUCT OF METAL HALIDE AND LEWIS BASE | JSR CORPORATION (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-1026181-A1 | Method of producing conjugated diene polymer | JSR Corporation (JP) | 2000-08-09 | — | — | EP | disclosed |
| EP-0957115-A1 | Method for producing conjugated diene polymers | JSR Corporation (JP) | 1999-11-17 | — | — | EP | disclosed |
| EP-0863165-A1 | Method of producing conjugated diene polymers | JSR Corporation (JP) | 1998-09-09 | — | — | EP | disclosed |