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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 6/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | KISS1R | Q969F8 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL7082289 | 0.92 | EPHX1 (0.57) | EPHX1ALOX15ACHEMMP2KISS1R | |
| Acetic Acid SCHEMBL5575013 | 0.90 | EPHX1 (0.71) | EPHX1ALOX15ALDH1A1S1PR2S1PR4 | |
| Acetic Acid SCHEMBL5568053 | 0.90 | EPHX1 (0.71) | EPHX1ALOX15ALDH1A1S1PR2S1PR4 | |
| Acetic Acid SCHEMBL28429473 | 0.90 | EPHX1 (0.71) | EPHX1ALOX15ALDH1A1S1PR2S1PR4 | |
| Acetic Acid SCHEMBL10610697 | 0.90 | EPHX1 (0.71) | EPHX1ALOX15ALDH1A1S1PR2S1PR4 | |
| Acetic Acid SCHEMBL21409815 | 0.90 | EPHX1 (0.71) | EPHX1ALOX15ALDH1A1S1PR2S1PR4 | |
| Acetic Acid SCHEMBL11575382 | 0.90 | EPHX1 (0.71) | EPHX1ALOX15ALDH1A1S1PR2S1PR4 | |
| Oxalic Acid SCHEMBL28276534 | 0.90 | ALOX15 (0.62) | EPHX1ALOX15ACHEMMP2AKR1B1 | |
| Acetic Acid SCHEMBL8094685 | 0.88 | EPHX1 (0.68) | EPHX1ALOX15ALDH1A1S1PR2S1PR4 | |
| Carbamic Acid SCHEMBL28983310 | 0.87 | ALOX15 (0.54) | EPHX1ALOX15ACHEMMP2AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5243072-A | Chemical intermediates | TH. GOLDSCHMIDT AG (DE) | 1993-09-07 | — | — | US | disclosed |
| US-5124446-A | Hair care | TH. GOLDSCHMIDT AG (DE) | 1992-06-23 | — | — | US | disclosed |