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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 known ✓ | P35228 | 2/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 2/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
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 SCHEMBL11185261 | 0.99 | NOS3 (0.39) | NOS3NOS1NOS2HAO1ACMSD | |
| Acetic Acid SCHEMBL11189325 | 0.99 | NOS3 (0.39) | NOS3NOS1NOS2HAO1ACMSD | |
| Acetic Acid SCHEMBL11185263 | 0.92 | NOS3 (0.39) | NOS3NOS1NOS2HAO1ACMSD | |
| Acetic Acid SCHEMBL11189328 | 0.92 | NOS3 (0.39) | NOS3NOS1NOS2HAO1ACMSD | |
| SCHEMBL11193502 | 0.90 | NOS3 (0.40) | NOS3NOS1NOS2HAO1HTT | |
| Hydrochloric Acid SCHEMBL11187059 | 0.88 | NOS3 (0.39) | NOS3NOS1NOS2HAO1HTT | |
| Sulfuric Acid SCHEMBL11183838 | 0.87 | LMNA (0.39) | NOS3NOS1NOS2HAO1KDM4E | |
| Hydrochloric Acid SCHEMBL11191691 | 0.87 | NOS3 (0.38) | NOS3NOS1NOS2HAO1HTT | |
| SCHEMBL11177066 | 0.85 | NOS3 (0.41) | NOS3NOS1NOS2HAO1HTT | |
| Phosphoric Acid SCHEMBL11176374 | 0.83 | NOS3 (0.41) | NOS3NOS1NOS2HAO1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4396617-A | FUNGICIDES | DUPHAR INTERNATIONAL B.V. (NL) | 1983-08-02 | — | — | US | claimed |
| EP-0001663-B1 | NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1982-05-12 | — | — | EP | claimed |
| EP-0001663-A1 | Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1979-05-02 | — | — | EP | claimed |
| US-4396617-A | FUNGICIDES | DUPHAR INTERNATIONAL B.V. (NL) | 1983-08-02 | — | — | US | disclosed |
| US-4374143-A | AS FUNGICIDES | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1983-02-15 | — | — | US | disclosed |
| EP-0001663-B1 | NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1982-05-12 | — | — | EP | disclosed |
| EP-0001663-A1 | Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1979-05-02 | — | — | EP | disclosed |