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 | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.56 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL570520 | 0.89 | GABRA1 (0.68) | GABRA1GABRB2TSHRPOLBPTGS1 | |
| SCHEMBL31340010 | 0.89 | GABRA1 (0.68) | GABRA1GABRB2TSHRPOLBPTGS1 | |
| Acetone SCHEMBL29011288 | 0.78 | GABRA1 (0.82) | GABRA1GABRB2TSHRPOLBPTGS1 | |
| SCHEMBL153695 | 0.77 | PTGS2 (0.59) | GABRA1GABRB2TSHRPOLBPTGS1 | |
| SCHEMBL29172238 | 0.77 | GABRA1 (0.52) | GABRA1GABRB2TSHRPOLBHPGD | |
| SCHEMBL29139384 | 0.77 | GABRA1 (0.58) | GABRA1GABRB2TSHRPOLBPTGS1 | |
| Catechol SCHEMBL8411371 | 0.77 | CA2 (0.62) | TSHRPOLBHPGDKDM4EALDH1A1 | |
| Catechol SCHEMBL2707627 | 0.77 | CA2 (0.62) | TSHRPOLBHPGDKDM4EALDH1A1 | |
| Methane SCHEMBL17958768 | 0.75 | PTGS2 (0.57) | GABRA1GABRB2TSHRPOLBPTGS1 | |
| SCHEMBL2731013 | 0.75 | PTGS2 (0.57) | GABRA1GABRB2TSHRPOLBPTGS1 |
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-1990006903-A1 | PHENOLIC RESINS | BORDEN (UK) LIMITED (GB) | 1990-06-28 | — | — | WO | disclosed |