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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31352637 | 0.93 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10CYP2C19CYP3A4 | |
| SCHEMBL8954889 | 0.93 | — | — | |
| SCHEMBL118486 | 0.93 | — | — | |
| SCHEMBL280605 | 0.93 | — | — | |
| Ethane SCHEMBL28292482 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10CYP2C19CYP3A4 | |
| SCHEMBL28212346 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10CYP2C19CYP3A4 | |
| SCHEMBL27994640 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10CYP2C19CYP3A4 | |
| SCHEMBL28212345 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10CYP2C19CYP3A4 | |
| SCHEMBL28212352 | 0.90 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10CYP2C19CYP3A4 | |
| SCHEMBL29054984 | 0.88 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10CYP2C19CYP3A4 |
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-3749281-A1 | PERFUME COMPLEX AND SCENTED WATER COMPOSITION | Expressions Parfumees (FR) | 2020-12-16 | — | — | EP | disclosed |
| WO-2019154892-A1 | PERFUME COMPLEX AND SCENTED WATER COMPOSITION | EXPRESSIONS PARFUMÉES (FR) | 2019-08-15 | — | — | WO | disclosed |