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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.61 |
| ▸ | LARS1 | Q9P2J5 | 2/20 | 0.56 |
| ▸ | CIT | O14578 | 4/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.51 |
| ▸ | ACE | P12821 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7376207 | 0.97 | AAK1 (0.64) | AAK1LARS1CITTAAR1MME | |
| SCHEMBL7376209 | 0.97 | AAK1 (0.64) | AAK1LARS1CITTAAR1MME | |
| Hydrochloric Acid SCHEMBL10788646 | 0.95 | AAK1 (0.62) | AAK1LARS1CITTAAR1MME | |
| SCHEMBL7409778 | 0.83 | TAAR1 (0.50) | AAK1LARS1CITTAAR1MME | |
| SCHEMBL9811444 | 0.83 | AAK1 (0.63) | AAK1CITLMNAMEN1KMT2A | |
| SCHEMBL9811456 | 0.83 | AAK1 (0.63) | AAK1CITLMNAMEN1KMT2A | |
| SCHEMBL10797393 | 0.82 | AAK1 (0.67) | AAK1LARS1CITMAPT | |
| SCHEMBL6518397 | 0.82 | AAK1 (0.67) | AAK1CITMAPT | |
| SCHEMBL11493006 | 0.82 | AAK1 (0.67) | AAK1LARS1CITMAPTGAA | |
| SCHEMBL9490663 | 0.82 | AAK1 (0.67) | AAK1LARS1CITMAPTGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5534541-A | THIOPHENE DERIVATIVES | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1996-07-09 | — | — | US | disclosed |