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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR5 known ✓ | P35346 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 7/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL103150 | 0.78 | MAPT (0.47) | MAPTALDH1A1KDM4EGLAGAA | |
| Acetic Acid SCHEMBL28604975 | 0.77 | LMNA (0.42) | MAPTALDH1A1KDM4EGLAGAA | |
| SCHEMBL3042985 | 0.73 | MAPT (0.47) | MAPTGAA | |
| SCHEMBL5546007 | 0.73 | MAPT (0.60) | MAPTALDH1A1KDM4EGAA | |
| SCHEMBL16674866 | 0.73 | AKR1C1 (0.39) | MAPTALDH1A1KDM4EGLAGAA | |
| SCHEMBL4260350 | 0.71 | MAPT (0.67) | MAPTALDH1A1KDM4EGLAGAA | |
| SCHEMBL12035985 | 0.71 | MAPT (0.41) | MAPTALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL5787636 | 0.70 | MAPT (0.39) | MAPTALDH1A1KDM4EGLAGAA | |
| SCHEMBL10573500 | 0.69 | HTR2A (0.40) | MAPTALDH1A1KDM4EHTR2AHIF1A | |
| SCHEMBL15724661 | 0.69 | AKR1B1 (0.46) | MAPTALDH1A1KDM4EAKR1B1HTR2A |
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-113135937-A | Fused tetracyclic compounds and application thereof in medicines | 广东东阳光药业有限公司 | 2021-07-20 | — | — | CN | disclosed |