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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL607515 | 0.92 | — | — | |
| Acetic Acid SCHEMBL7510069 | 0.78 | EPHX1 (0.50) | POLBFFAR3LCKFYNL3MBTL1 | |
| SCHEMBL15540904 | 0.77 | HDAC6 (0.40) | POLBHDAC6L3MBTL1SMN1; SMN2CA1 | |
| SCHEMBL1650978 | 0.77 | EGLN1 (0.44) | POLBHDAC6L3MBTL1SMN1; SMN2CA1 | |
| SCHEMBL10016064 | 0.77 | PREP (0.39) | POLBHDAC6L3MBTL1SMN1; SMN2CA1 | |
| SCHEMBL1346149 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL27685625 | 0.75 | EGLN1 (0.43) | POLBHDAC6L3MBTL1SMN1; SMN2CA1 | |
| SCHEMBL8787301 | 0.75 | EGLN1 (0.43) | POLBHDAC6L3MBTL1SMN1; SMN2CA1 | |
| SCHEMBL6564560 | 0.74 | — | — | |
| SCHEMBL20021564 | 0.73 | TDP1 (0.41) | POLBHDAC6L3MBTL1SMN1; SMN2CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530515-B1 | Process for the preparation of N-halomethylpyrrole and intermediates | BASF AG (DE) | 2002-11-06 | — | — | EP | disclosed |
| EP-0530515-A1 | N-Alkanoylaminomethyl and N-Aroylaminomethyl pyrrole insecticidal and acaricidal agents | AMERICAN CYANAMID COMPANY (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5130328-A | Lima bean leaves | AMERICAN CYANAMID COMPANY (US) | 1992-07-14 | — | — | US | disclosed |