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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL12487135 | 0.93 | CES2 (0.58) | CES2CES1AKR1B1CA2HIF1A | |
| Methylamine SCHEMBL28847766 | 0.93 | CES2 (0.58) | CES2CES1AKR1B1CA2HIF1A | |
| SCHEMBL25676 | 0.93 | CES1 (0.64) | CES2CES1AKR1B1CA2HIF1A | |
| Fluoromethane SCHEMBL27437971 | 0.91 | CES1 (0.56) | CES2CES1AKR1B1CA2HIF1A | |
| SCHEMBL28816959 | 0.91 | CES2 (0.56) | CES2CES1AKR1B1CA2HIF1A | |
| Methane SCHEMBL2335788 | 0.91 | CES1 (0.61) | CES2CES1AKR1B1CA2HIF1A | |
| Hydrochloric Acid SCHEMBL3651517 | 0.91 | CES1 (0.61) | CES2CES1AKR1B1CA2HIF1A | |
| Hydrochloric Acid SCHEMBL1621316 | 0.91 | CES1 (0.61) | CES2CES1AKR1B1CA2HIF1A | |
| SCHEMBL4165526 | 0.91 | CES1 (0.61) | CES2CES1AKR1B1CA2HIF1A | |
| Phosphine SCHEMBL29287353 | 0.91 | CES1 (0.61) | CES2CES1AKR1B1CA2HIF1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111199913-B | Electronic device | 群创光电股份有限公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-111199913-A | Electronic device | 群创光电股份有限公司 | 2020-05-26 | — | — | CN | disclosed |
| CN-101500982-A | Positively charged water-soluble diclofenac prodrugs with fast skin penetration rate | CHONGXI YU (US) | 2009-08-05 | — | — | CN | disclosed |
| US-4855314-A | VASOCONTRICTORS, TREATMENT OF MIGRAINES, 3-(AMINO-ETHYL)-5-(PHENYL(ALKYL)-CARBONYL OR SULFONYL-AMINOALKYL SUBSTITUTED | GLAXO GROUP LIMITED (GB) | 1989-08-08 | — | — | US | disclosed |
| EP-0240096-A1 | Indole derivatives having a selective vasoconstrictor activity | GLAXO GROUP LIMITED (GB) | 1987-10-07 | — | — | EP | disclosed |