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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 6/20 | 0.50 |
| ▸ | CTSB | P07858 | 3/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | TLR4 | O00206 | 1/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9382296 | 1.00 | ALDH1A1 (0.51) | ALDH1A1GAACTSKCTSBCTSS | |
| SCHEMBL525589 | 0.96 | ALDH1A1 (0.54) | ALDH1A1GAACTSKCTSBCTSS | |
| SCHEMBL9382839 | 0.96 | ALDH1A1 (0.54) | ALDH1A1GAACTSKCTSBCTSS | |
| SCHEMBL9383125 | 0.96 | ALDH1A1 (0.54) | ALDH1A1GAACTSKCTSBCTSS | |
| SCHEMBL8778049 | 0.88 | EPHX1 (0.55) | ALDH1A1GAACTSKCTSBCTSS | |
| SCHEMBL10359597 | 0.81 | CTSK (0.71) | CTSKCTSBCTSSCTSL | |
| SCHEMBL10617108 | 0.77 | ALDH1A1 (0.59) | ALDH1A1GAACTSKCTSBTSHR | |
| SCHEMBL8842444 | 0.77 | ALDH1A1 (0.58) | ALDH1A1GAACTSKCTSBTSHR | |
| SCHEMBL632914 | 0.76 | CRBN (0.60) | ALDH1A1GAATSHRCTSLNAAA | |
| SCHEMBL3544056 | 0.76 | CRBN (0.60) | ALDH1A1GAATSHRCTSLNAAA |
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-0611371-A1 | PROCESS FOR THE PREPARATION OF CONDENSED IMIDAZOLES | Smithkline Beecham Farmaceutici S.p.A. (IT) | 1994-08-24 | — | — | EP | disclosed |