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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYBB | P04839 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.34 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11685389 | 0.88 | MEN1 (0.39) | MEN1KMT2AGAAMAPTALOX15 | |
| SCHEMBL7581735 | 0.87 | MEN1 (0.40) | MEN1KMT2AGAAMAPTALOX15 | |
| SCHEMBL18890497 | 0.87 | MEN1 (0.40) | MEN1KMT2AGAAMAPTALOX15 | |
| SCHEMBL4937238 | 0.87 | MEN1 (0.40) | MEN1KMT2AGAAMAPTALOX15 | |
| SCHEMBL4931900 | 0.84 | MEN1 (0.36) | MEN1KMT2AGAAMAPTALOX15 | |
| Phenothiazine SCHEMBL8158386 | 0.68 | NOX1 (0.65) | MEN1KMT2ACYBBAPPGAA | |
| SCHEMBL4938764 | 0.66 | — | — | |
| SCHEMBL709998 | 0.65 | — | — | |
| SCHEMBL9429297 | 0.62 | — | — | |
| SCHEMBL12319503 | 0.61 | KDM4E (0.33) | MEN1KMT2AGAAMAPTNPC1 |
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-0810196-B1 | Method for inhibiting polymerization of (meth) acrylic acid or esters thereof | MITSUBISHI CHEM CORP (JP) | 2000-04-05 | — | — | EP | disclosed |
| EP-0810196-A1 | Method for inhibiting polymerization of (meth) acrylic acid or esters thereof | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-12-03 | — | — | EP | disclosed |