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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | QDPR | P09417 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 4/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9411362 | 0.98 | MAPT (0.42) | MAPTTDP1ALDH1A1L3MBTL1ACHE | |
| SCHEMBL9411316 | 0.86 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1ACHECYP2C9CYP2C19 | |
| SCHEMBL9411366 | 0.85 | HTR4 (0.46) | MAPTTDP1ALDH1A1L3MBTL1ACHE | |
| SCHEMBL9411589 | 0.81 | MAPT (0.44) | MAPTTDP1ALDH1A1L3MBTL1ACHE | |
| Acetic Acid SCHEMBL9411509 | 0.81 | ALDH1A1 (0.42) | ALDH1A1ACHECYP2C19QDPRKMT2A | |
| SCHEMBL9411299 | 0.79 | MAPT (0.48) | MAPTTDP1ALDH1A1L3MBTL1CYP2C9 | |
| SCHEMBL9411289 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ACHECYP2C19QDPRKMT2A | |
| SCHEMBL9411321 | 0.78 | HTR4 (0.42) | ALDH1A1L3MBTL1ACHEDRD2DRD4 | |
| Acetic Acid SCHEMBL9411197 | 0.77 | MAPT (0.44) | MAPTTDP1ALDH1A1L3MBTL1CYP2C9 | |
| SCHEMBL9411502 | 0.76 | TP53 (0.41) | ACHEQDPRDRD2DRD4KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0602242-A1 | BENZISOXAZOLE COMPOUND AND USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |