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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8780753 | 0.97 | GAA (0.45) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL8780754 | 0.97 | GAA (0.45) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL8780845 | 0.86 | GAA (0.42) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL8380205 | 0.80 | GAA (0.51) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL9316954 | 0.79 | GAA (0.48) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL53468 | 0.79 | GAA (0.47) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL29510603 | 0.79 | GAA (0.47) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL6812884 | 0.78 | GAA (0.47) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL8633328 | 0.78 | GAA (0.47) | GAAMAPTTP53GLACYP1A2 | |
| SCHEMBL10949384 | 0.77 | GAA (0.52) | GAAMAPTTP53GLACYP1A2 |
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-5464808-A | Plant growth regulators | AMERICAN CYANAMID COMPANY (US) | 1995-11-07 | — | — | US | claimed |
| EP-0661275-B1 | 1-alpha-cyclopropyl-alpha-(substituted oxy)-o-tolyl sulfamoyl -3-(4,6-dimethoxy-2-pyrimidinyl)urea herbicidal agents | AMERICAN CYANAMID CO (US) | 1997-06-18 | — | — | EP | disclosed |
| US-5464808-A | Plant growth regulators | AMERICAN CYANAMID COMPANY (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0661275-A1 | 1-alpha-cyclopropyl-alpha-(substituted oxy)-o-tolyl sulfamoyl -3-(4,6-dimethoxy-2-pyrimidinyl)urea herbicidal agents | AMERICAN CYANAMID COMPANY (US) | 1995-07-05 | — | — | EP | disclosed |