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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2957850 | 0.87 | MAPK1 (0.54) | MAPK1CHRM2CHRM4CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL2957846 | 0.85 | MAPK1 (0.52) | MAPK1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL1114394 | 0.82 | MAPK1 (0.41) | MAPK1CHRM3CHRNA7SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL7809740 | 0.81 | CHRNA7 (0.40) | MAPK1CHRM3CHRNA7SLC6A4SLC6A3 | |
| SCHEMBL3415406 | 0.70 | CHRNA7 (0.42) | MAPK1CHRNA7 | |
| SCHEMBL3410709 | 0.69 | CHRNA7 (0.32) | CHRNA7 | |
| SCHEMBL12518204 | 0.69 | TRPV4 (0.31) | — | |
| SCHEMBL3412649 | 0.69 | CHRNA7 (0.32) | CHRNA7 | |
| SCHEMBL9872822 | 0.68 | MAPK1 (0.33) | MAPK1 | |
| SCHEMBL3413589 | 0.67 | TSHR (0.32) | MAPK1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5017582-A | Analgesics | SANDOZ LTD. (CH) | 1991-05-21 | — | — | US | disclosed |
| US-4910207-A | Antipsychotic agent | NOVARTIS AG (CH) | 1990-03-20 | — | — | US | disclosed |
| US-4803199-A | SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS | NOVARTIS AG (CH) | 1989-02-07 | — | — | US | disclosed |
| US-4789673-A | ANTISEROTONINE AGENTS | NOVARTIS AG (CH) | 1988-12-06 | — | — | US | disclosed |