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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2185353 | 0.91 | LMNA (0.57) | LMNACYP1A2CYP2C9CYP2C19ALOX15 | |
| SCHEMBL265248 | 0.91 | LMNA (0.57) | LMNACYP1A2CYP2C9CYP2C19ALOX15 | |
| Water SCHEMBL11590419 | 0.89 | LMNA (0.55) | LMNACYP1A2CYP2C9CYP2C19ALOX15 | |
| Acetic Acid SCHEMBL9471064 | 0.82 | TSHR (0.50) | LMNACYP1A2CYP2C9CYP2C19ALOX15 | |
| Acetic Acid SCHEMBL9471071 | 0.82 | TSHR (0.50) | LMNACYP1A2CYP2C9CYP2C19ALOX15 | |
| Chlorobenzene SCHEMBL28114087 | 0.81 | TSHR (0.48) | LMNACYP1A2TSHRPOLBCA9 | |
| Acetic Acid SCHEMBL28835688 | 0.80 | CYP1A2 (0.55) | LMNACYP1A2CYP2C19TSHRPOLB | |
| SCHEMBL16255397 | 0.80 | FURIN (0.50) | LMNACYP1A2CYP2C9CYP2C19POLB | |
| 4-Chloro-Benzoic Acid SCHEMBL31472645 | 0.79 | TSHR (0.71) | LMNACYP1A2CYP2C9CYP2C19ALOX15 | |
| Acetic Acid SCHEMBL8195147 | 0.79 | TPMT (0.52) | CA9KMT2AMEN1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-8268976-A | — | — | None | — | — | JP | disclosed |
| US-6093851-A | N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 2000-07-25 | — | — | US | disclosed |
| EP-0735018-B1 | N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor | SUMITOMO CHEMICAL CO (JP) | 1999-07-21 | — | — | EP | disclosed |
| US-5739401-A | N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-04-14 | — | — | US | disclosed |
| JP-H08268976-A | PRODUCTION OF 1-CHLORO-SUBSTITUTED PHENYLALKYLAMINE | SUMITOMO CHEM CO LTD | 1996-10-15 | — | — | JP | disclosed |
| EP-0735018-A1 | N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-10-02 | — | — | EP | disclosed |