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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.82 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.82 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.82 |
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.82 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.82 |
| ▸ | MET | P08581 | 11/20 | 0.82 |
| ▸ | JAK2 | O60674 | 7/20 | 0.82 |
| ▸ | MAP4K3 | Q8IVH8 | 7/20 | 0.82 |
| ▸ | ALK | Q9UM73 | 6/20 | 0.82 |
| ▸ | JAK3 | P52333 | 4/20 | 0.82 |
| ▸ | JAK1 | P23458 | 3/20 | 0.82 |
| ▸ | TYK2 | P29597 | 3/20 | 0.82 |
| ▸ | PLK4 | O00444 | 2/20 | 0.82 |
| ▸ | AURKA | O14965 | 2/20 | 0.82 |
| ▸ | DCLK1 | O15075 | 2/20 | 0.82 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.82 |
| ▸ | ABL1 | P00519 | 2/20 | 0.82 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.82 |
| ▸ | INSR | P06213 | 2/20 | 0.82 |
| ▸ | LCK | P06239 | 2/20 | 0.82 |
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 | |
|---|---|---|---|---|
| Crizotinib SCHEMBL1827232 | 0.95 | MET (0.91) | METJAK2MAP4K3ALKJAK3 | |
| SCHEMBL3243547 | 0.95 | MET (0.90) | METJAK2MAP4K3ALKJAK3 | |
| SCHEMBL1582209 | 0.95 | MET (0.90) | METJAK2MAP4K3ALKJAK3 | |
| Crizotinib SCHEMBL29622387 | 0.90 | MET (1.00) | METJAK2MAP4K3ALKJAK3 | |
| Crizotinib SCHEMBL28844302 | 0.90 | MET (1.00) | METJAK2MAP4K3ALKJAK3 | |
| Crizotinib SCHEMBL29351506 | 0.90 | MET (1.00) | METJAK2MAP4K3ALKJAK3 | |
| Crizotinib SCHEMBL93829 | 0.90 | MET (1.00) | METJAK2MAP4K3ALKJAK3 | |
| Crizotinib SCHEMBL29831970 | 0.90 | MET (1.00) | METJAK2MAP4K3ALKJAK3 | |
| Crizotinib SCHEMBL28844303 | 0.90 | MET (1.00) | METJAK2MAP4K3ALKJAK3 | |
| Crizotinib SCHEMBL30129754 | 0.90 | MET (1.00) | METJAK2MAP4K3ALKJAK3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014203177-A1 | AMORPHOUS (R) -3- [1- (2, 6-DICHLORO-3-FLUOROPHENYL) METHOXY] -5- [1- (PIPERIDIN-4- YL) -1H-PYRAZOL-4-YL] PYRIDIN-2-AMINE | SHILPA MEDICARE LIMITED (IN) | 2014-12-24 | — | — | WO | disclosed |