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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22346246 | 0.95 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2EPHX2NAAACYP1A2 | |
| SCHEMBL163813 | 0.95 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2EPHX2NAAACYP1A2 | |
| SCHEMBL196057 | 0.90 | NAAA (0.52) | SMN1; SMN2EPHX2NAAAL3MBTL1 | |
| SCHEMBL27646453 | 0.89 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2EPHX2NAAACYP1A2 | |
| SCHEMBL27272547 | 0.89 | NAAA (0.55) | SMN1; SMN2EPHX2NAAAL3MBTL1 | |
| SCHEMBL10534561 | 0.89 | NAAA (0.55) | SMN1; SMN2EPHX2NAAAL3MBTL1 | |
| SCHEMBL27270392 | 0.89 | NAAA (0.55) | SMN1; SMN2EPHX2NAAAL3MBTL1 | |
| SCHEMBL27274532 | 0.89 | NAAA (0.55) | SMN1; SMN2EPHX2NAAAL3MBTL1 | |
| SCHEMBL22125281 | 0.88 | NAAA (0.53) | SMN1; SMN2EPHX2NAAAL3MBTL1 | |
| SCHEMBL9855163 | 0.86 | NAAA (0.48) | ALDH1A1EPHX2NAAAL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695166-A1 | PERFUME COMPOSITION | QUEST INTERNATIONAL NEDERLAND BV (NL) | 1996-02-07 | — | — | EP | disclosed |
| WO-1994024999-A2 | PERFUME COMPOSITION | QUEST INTERNATIONAL B.V. (NL) | 1994-11-10 | — | — | WO | disclosed |