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 | 0.37 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL430339 | 0.97 | L3MBTL1 (0.46) | L3MBTL1KDM4EAPAF1POLBMAPT | |
| SCHEMBL24899379 | 0.97 | L3MBTL1 (0.46) | L3MBTL1KDM4EAPAF1POLBMAPT | |
| SCHEMBL19295493 | 0.82 | KDM4E (0.53) | L3MBTL1KDM4EAPAF1POLBMAPT | |
| SCHEMBL7629121 | 0.82 | KDM4E (0.53) | L3MBTL1KDM4EAPAF1POLBMAPT | |
| SCHEMBL19295494 | 0.82 | KDM4E (0.53) | L3MBTL1KDM4EAPAF1POLBMAPT | |
| SCHEMBL8053590 | 0.82 | KMT2A (0.50) | L3MBTL1NR3C1PGRNR3C2KDM4C | |
| SCHEMBL3921085 | 0.81 | ESR1 (0.40) | L3MBTL1MAPTPSMB1PSMB5PSMB2 | |
| SCHEMBL7382016 | 0.81 | PPARG (0.48) | L3MBTL1NR3C1PGRNR3C2KDM4C | |
| SCHEMBL1453421 | 0.80 | APAF1 (0.44) | L3MBTL1KDM4EAPAF1POLBMAPT | |
| SCHEMBL1907795 | 0.80 | ESR1 (0.56) | L3MBTL1KDM4EAPAF1POLBMAPT |
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 |