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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MME | P08473 | 1/20 | 0.51 |
| ▸ | ACE | P12821 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL24832296 | 0.96 | TAAR1 (0.59) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL835887 | 0.96 | TAAR1 (0.59) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL836046 | 0.96 | TAAR1 (0.59) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL31491245 | 0.95 | TAAR1 (0.57) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL31491246 | 0.95 | TAAR1 (0.57) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL1750312 | 0.86 | TAAR1 (0.76) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL4651929 | 0.86 | TAAR1 (0.76) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL14546953 | 0.84 | TAAR1 (0.57) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL400176 | 0.82 | TAAR1 (0.53) | TAAR1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL11760683 | 0.82 | SMN1; SMN2 (0.67) | TAAR1ALDH1A1HPGDHTTSMN1; SMN2 |
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 |