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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNMA1 | Q12791 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MPL | P40238 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL11431960 | 0.97 | KCNMA1 (0.51) | KCNMA1ALDH1A1KMT2AMPLHPGD | |
| Acetic Acid SCHEMBL11430476 | 0.92 | ALDH1A1 (0.46) | KCNMA1ALDH1A1KMT2AMPLHPGD | |
| SCHEMBL11430336 | 0.89 | KCNMA1 (0.48) | KCNMA1ALDH1A1KMT2AMPLHPGD | |
| SCHEMBL11431132 | 0.89 | KCNMA1 (0.51) | KCNMA1ALDH1A1KMT2AHPGDLMNA | |
| SCHEMBL11421989 | 0.87 | KCNMA1 (0.47) | KCNMA1ALDH1A1KMT2AHPGDNPC1 | |
| SCHEMBL11422158 | 0.85 | KMT2A (0.44) | KCNMA1ALDH1A1KMT2AHPGDLMNA | |
| Acetic Acid SCHEMBL11428528 | 0.84 | MPL (0.43) | KCNMA1KMT2AMPLLMNANPC1 | |
| Acetic Acid SCHEMBL11425024 | 0.84 | MPL (0.43) | KCNMA1KMT2AMPLLMNARAB9A | |
| SCHEMBL11423179 | 0.83 | KCNMA1 (0.49) | KCNMA1ALDH1A1KMT2AHPGDNPC1 | |
| SCHEMBL11431176 | 0.83 | KCNMA1 (0.54) | KCNMA1ALDH1A1KMT2AHPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4216166-A | Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction | AMERICAN CYANAMID COMPANY (US) | 1980-08-05 | — | — | US | disclosed |