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 | 1/20 | 0.33 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL106782 | 0.89 | HSD17B10 (0.50) | HSD17B10TDP1CHRM1AKR1A1CHRM3 | |
| Acetic Acid SCHEMBL3380365 | 0.88 | TSHR (0.45) | GPR84CYP3A4TSHRCYP1A2CYP2C19 | |
| Acetic Acid SCHEMBL28080807 | 0.88 | TSHR (0.45) | GPR84CYP3A4TSHRCYP1A2CYP2C19 | |
| Acetic Acid SCHEMBL11353075 | 0.86 | CHRM1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL11353114 | 0.86 | CHRM1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL3383160 | 0.86 | GPR84 (0.47) | GPR84CYP3A4CYP1A2CYP2C19FFAR1 | |
| Ether SCHEMBL3377966 | 0.84 | CHRM1 (0.41) | HSD17B10TDP1CHRM1AKR1A1CHRM3 | |
| Ethyl Acetate SCHEMBL144749 | 0.84 | ALDH1A1 (0.52) | HSD17B10TDP1CHRM1CHRM3TSHR | |
| Acetic Acid SCHEMBL3382899 | 0.84 | CHRM1 (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Acetic Acid SCHEMBL29215809 | 0.84 | CHRM1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2009070-B1 | Ink-jet ink and method of producing the same, color filter and method of producing the same, display device, and method of forming functional film | FUJIFILM CORP (JP) | 2010-11-24 | — | — | EP | disclosed |
| US-20090035535-A1 | INK-JET INK AND METHOD OF PRODUCING THE SAME, COLOR FILTER AND METHOD OF PRODUCING THE SAME, DISPLAY DEVICE, AND METHOD OF FORMING FUNCTIONAL FILM | FUJIFILM CORPORATION (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-2009070-A1 | Ink-jet ink and method of producing the same, color filter and method of producing the same, display device, and method of forming functional film | FUJIFILM Corporation (JP) | 2008-12-31 | — | — | EP | disclosed |