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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 2/20 | 0.49 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.49 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL464450 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL16700667 | 0.88 | ALPG (0.46) | ALPGPLAAALPLSMN1; SMN2CA12 | |
| Hydrochloric Acid SCHEMBL20262982 | 0.86 | ALPG (0.46) | ALPGPLAAALPLCA12CA1 | |
| Bromide SCHEMBL28236460 | 0.86 | ALPG (0.44) | ALPGPLAAALPLCA12CA1 | |
| SCHEMBL28104483 | 0.86 | ALPG (0.44) | ALPGPLAAALPLCA12CA1 | |
| SCHEMBL27862505 | 0.84 | ALPG (0.44) | ALPGPLAAALPLCA12CA1 | |
| Acetic Acid SCHEMBL2934508 | 0.83 | AGTR1 (0.51) | ALPGPLAAMEN1KMT2AMAPK1 | |
| Nitric Acid SCHEMBL16699994 | 0.82 | ALPG (0.43) | ALPGPLAAALPLCA12CA1 | |
| SCHEMBL23044738 | 0.81 | ALPG (0.44) | ALPGPLAAALPLCA12CA1 | |
| Formamide SCHEMBL8546522 | 0.81 | ALDH1A1 (0.44) | ALPGPLAAALPLCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109790292-A | Process for preparing polybenzazole polymer (P) | 巴斯夫欧洲公司 | 2019-05-21 | — | — | CN | disclosed |