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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | PGR | P06401 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.50 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.50 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.50 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
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 SCHEMBL11261624 | 0.91 | LMNA (0.56) | LMNASMN1; SMN2CYP3A4MEN1CYP1A2 | |
| SCHEMBL23997304 | 0.77 | PGR (0.56) | LMNASMN1; SMN2CYP3A4MEN1KMT2A | |
| SCHEMBL30456380 | 0.77 | PGR (0.56) | LMNASMN1; SMN2CYP3A4MEN1KMT2A | |
| SCHEMBL25432803 | 0.76 | EPHX2 (0.59) | LMNASMN1; SMN2KMT2APGRHTT | |
| SCHEMBL29701185 | 0.76 | CYP1A2 (1.00) | LMNASMN1; SMN2CYP3A4MEN1CYP1A2 | |
| SCHEMBL612079 | 0.76 | CYP1A2 (1.00) | LMNASMN1; SMN2CYP3A4MEN1CYP1A2 | |
| Acetic Acid SCHEMBL11270363 | 0.75 | LMNA (0.59) | LMNASMN1; SMN2CYP3A4MEN1CYP1A2 | |
| SCHEMBL23997465 | 0.74 | PGR (0.60) | LMNASMN1; SMN2CYP3A4MEN1CYP1A2 | |
| SCHEMBL30337318 | 0.74 | PGR (0.60) | LMNASMN1; SMN2CYP3A4MEN1CYP1A2 | |
| SCHEMBL15687345 | 0.74 | SMN1; SMN2 (0.58) | SMN1; SMN2MEN1KMT2APGRHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0019440-B1 | BENZIMIDAZOLONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PFIZER INC. (US) | 1982-09-29 | — | — | EP | disclosed |
| EP-0019440-A1 | Benzimidazolone derivatives, process for their preparation and pharmaceutical compositions containing them | PFIZER INC. (US) | 1980-11-26 | — | — | EP | disclosed |