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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1617171 | 0.94 | ALDH1A1 (0.51) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL5171234 | 0.94 | ALDH1A1 (0.51) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL2495325 | 0.94 | ALDH1A1 (0.51) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL15329139 | 0.91 | ALDH1A1 (0.54) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL9343685 | 0.91 | ALDH1A1 (0.50) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL5105833 | 0.91 | ALDH1A1 (0.54) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| Acetonitrile SCHEMBL28099504 | 0.86 | CHRM2 (0.49) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL4339192 | 0.83 | CHRM2 (0.42) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL7493133 | 0.83 | CHRM2 (0.42) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL4762996 | 0.83 | CHRM2 (0.42) | ALDH1A1CHRM2CHRM1MEN1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4117139-A | MEDICATED COMPOUND FOR TREATING ALLERGIC DISEASES | MASHKOVSKY MIKHAIL DAVYDOVICH | 1978-09-26 | — | — | US | disclosed |