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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.62 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | GALR3 | O60755 | 1/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.60 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.60 |
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 SCHEMBL8081734 | 0.87 | ADRB2 (0.62) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| Acetic Acid SCHEMBL8085344 | 0.87 | ADRB3 (0.67) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| Acetic Acid SCHEMBL8080866 | 0.84 | ADRB2 (0.75) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| SCHEMBL8086801 | 0.81 | ADRB3 (0.61) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| SCHEMBL8086806 | 0.81 | ADRB3 (0.61) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| Acetic Acid SCHEMBL7107390 | 0.80 | ADRB3 (0.63) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| Acetic Acid SCHEMBL8085295 | 0.78 | ADRB2 (0.73) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| Ritodrine SCHEMBL4430018 | 0.78 | ADRB2 (1.00) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| Ritodrine SCHEMBL29395182 | 0.78 | ADRB2 (1.00) | ADRB2LMNAHIF1ASLC6A2SLC6A4 | |
| Ritodrine SCHEMBL16267904 | 0.78 | ADRB2 (1.00) | ADRB2LMNAHIF1ASLC6A2SLC6A4 |
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-1043308-A1 | PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | Kissei Pharmaceutical Co., Ltd. (JP) | 2000-10-11 | — | — | EP | disclosed |