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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL55578 | 0.89 | TAAR1 (0.50) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| Phosphine SCHEMBL9467574 | 0.87 | TAAR1 (0.48) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| Iodide SCHEMBL6625841 | 0.87 | TAAR1 (0.48) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| SCHEMBL9144235 | 0.87 | TAAR1 (0.48) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| Phosphoric Acid SCHEMBL6689741 | 0.86 | TAAR1 (0.41) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| Sulfuric Acid SCHEMBL9177660 | 0.86 | TAAR1 (0.41) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| Inositol SCHEMBL3079466 | 0.84 | TAAR1 (0.42) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| SCHEMBL10713219 | 0.83 | CYP2C19 (0.42) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| Phosphoric Acid SCHEMBL5665038 | 0.83 | TAAR1 (0.41) | CYP2C19HIF1ATAAR1KMT2AMAPT | |
| SCHEMBL17799783 | 0.83 | TAAR1 (0.41) | CYP2C19HIF1ATAAR1KMT2AMAPT |
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-2247596-A2 | NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS | Natco Pharma Limited (IN) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009098715-A2 | NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS | NATCO PHARMA LIMITED (IN) | 2009-08-13 | — | — | WO | disclosed |