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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.44 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | ELANE | P08246 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9699736 | 0.84 | LMNA (0.53) | LMNAESR1HIF1AELANEHSD17B10 | |
| SCHEMBL8077839 | 0.83 | LMNA (0.48) | LMNAESR1HIF1AELANEHSD17B10 | |
| SCHEMBL28357658 | 0.83 | LMNA (0.48) | LMNAESR1HIF1AELANEHSD17B10 | |
| SCHEMBL23685466 | 0.81 | ESR1 (0.49) | LMNAESR1HIF1AELANEALDH1A1 | |
| SCHEMBL2246272 | 0.80 | ESR1 (0.71) | LMNAESR1HIF1AELANEHSD17B10 | |
| SCHEMBL31356495 | 0.80 | ESR1 (0.71) | LMNAESR1HIF1AELANEHSD17B10 | |
| SCHEMBL9187380 | 0.79 | HSD17B10 (0.46) | LMNAESR1HIF1AELANEHSD17B10 | |
| SCHEMBL21612683 | 0.79 | ESR1 (0.69) | LMNAESR1HIF1AELANEHSD17B10 | |
| SCHEMBL111718 | 0.79 | TSHR (0.60) | LMNAESR1HIF1AELANEHSD17B10 | |
| SCHEMBL12445339 | 0.78 | CYP17A1 (0.54) | LMNAESR1HIF1AELANEHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009065239-A1 | COMPOSITIONS AND THEIR USE | GIVAUDAN SA (CH) | 2009-05-28 | — | — | WO | disclosed |