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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | CASP1 | P29466 | 1/20 | 0.59 |
| ▸ | CASP7 | P55210 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CFTR | P13569 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
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 SCHEMBL7113663 | 1.00 | CYP3A4 (0.59) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Acetic Acid SCHEMBL9167204 | 1.00 | CYP3A4 (0.59) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Acetone SCHEMBL28165614 | 0.91 | CYP3A4 (0.62) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Acetic Acid SCHEMBL27462445 | 0.90 | CYP3A4 (0.48) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Bicarbonate SCHEMBL6029545 | 0.88 | ALOX15 (0.67) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Oxalic Acid SCHEMBL7625758 | 0.85 | ALOX15 (0.62) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Carbamic Acid SCHEMBL10582599 | 0.85 | ALOX15 (0.62) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Bicarbonate SCHEMBL9347979 | 0.85 | ALOX15 (0.62) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| O-Tolylamine SCHEMBL6760044 | 0.85 | CYP3A4 (0.68) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Questiomycin B SCHEMBL3202463 | 0.85 | ALOX15 (0.71) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107556207-A | A kind of synthetic method of 3-acetylaminoaniline hydrochloride | 烟台安诺其精细化工有限公司 | 2018-01-09 | — | — | CN | claimed |
| CN-106674125-A | Synthetic method of flibaserin intermediate 1-(2-haloethyl)-1H-benzimidazole-2-one | 西北师范大学 | 2017-05-17 | — | — | CN | disclosed |
| CN-1839150-A | Lipopeptide antibacterial derivative composition and application method thereof | MIGENIX INC (CA) | 2006-09-27 | — | — | CN | disclosed |
| US-5669035-A | Apparatus for processing a silver halide photosensitive material | KONICA CORPORATION (JP) | 1997-09-16 | — | — | US | disclosed |
| EP-0762205-A1 | Apparatus for processing a silver halide photosensitive material | KONICA CORPORATION (JP) | 1997-03-12 | — | — | EP | disclosed |
| CN-1030689-C | Dry high flux semipermeable membranes | ALLIED SIGNAL INC (US) | 1996-01-17 | — | — | CN | disclosed |
| CN-1054200-A | DRY HIGH FLUX SEMIPERMEABLE MEMBRANES | ALLIED SIGNAL INC (US) | 1991-09-04 | — | — | CN | disclosed |