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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.56 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.49 |
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.49 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.49 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | DRD4 | P21917 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 12/20 | 0.52 |
| ▸ | CHRM4 | P08173 | 12/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 12/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 11/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10983074 | 0.92 | ALDH1A1 (0.64) | MAPTALDH1A1LMNAKDM4EPTK2B | |
| SCHEMBL10993180 | 0.92 | ALDH1A1 (0.64) | MAPTALDH1A1LMNAKDM4EPTK2B | |
| Sulfuric Acid SCHEMBL10985440 | 0.90 | ALDH1A1 (0.56) | MAPTALDH1A1LMNAKDM4EPTK2B | |
| SCHEMBL1450332 | 0.81 | ALDH1A1 (0.82) | MAPTALDH1A1LMNAKDM4EPTK2B | |
| SCHEMBL20148244 | 0.81 | ALDH1A1 (0.70) | MAPTALDH1A1LMNAKDM4EPTK2B | |
| SCHEMBL1105634 | 0.81 | MEN1 (0.65) | MAPTALDH1A1KDM4EDRD2DRD4 | |
| SCHEMBL9480692 | 0.79 | ALDH1A1 (0.53) | ALDH1A1DRD2DRD4DRD3MEN1 | |
| SCHEMBL28863147 | 0.79 | MAPT (0.82) | MAPTALDH1A1LMNAKDM4EPTK2B | |
| SCHEMBL30674384 | 0.78 | MEN1 (0.68) | MAPTALDH1A1KDM4EDRD2DRD4 | |
| SCHEMBL25226247 | 0.77 | ALDH1A1 (0.74) | MAPTALDH1A1LMNAKDM4EPTK2B |
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-4512990-A | ANTIOSWELLING AGENTS | SYNTEX (U.S.A.), INC. (US) | 1985-04-23 | — | — | US | disclosed |