Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.57 |
| ▸ | KDR | P35968 | 6/20 | 0.62 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.62 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.62 |
| ▸ | MC4R | P32245 | 1/20 | 0.62 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.62 |
| ▸ | RAF1 | P04049 | 15/20 | 0.57 |
| ▸ | BRAF | P15056 | 9/20 | 0.57 |
| ▸ | RET | P07949 | 3/20 | 0.57 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.57 |
| ▸ | ABL1 | P00519 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | KIT | P10721 | 2/20 | 0.57 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.57 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.57 |
| ▸ | FLT1 | P17948 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL1702025 | 0.93 | KDR (0.72) | KDRAURKBNTSR1MC4RPAX8 | |
| Sulfuric Acid SCHEMBL2043327 | 0.93 | RAF1 (0.63) | KDRAURKBNTSR1MC4RPAX8 | |
| SCHEMBL1702479 | 0.93 | RAF1 (0.63) | KDRAURKBNTSR1MC4RPAX8 | |
| SCHEMBL694648 | 0.91 | RAF1 (0.67) | KDRAURKBNTSR1MC4RPAX8 | |
| SCHEMBL2045624 | 0.91 | RAF1 (0.60) | KDRAURKBNTSR1MC4RPAX8 | |
| Hydrochloric Acid SCHEMBL1702120 | 0.90 | RAF1 (0.66) | KDRAURKBNTSR1MC4RPAX8 | |
| Hydrochloric Acid SCHEMBL1702492 | 0.90 | RAF1 (0.65) | KDRAURKBNTSR1MC4RPAX8 | |
| SCHEMBL2042258 | 0.89 | RAF1 (0.55) | KDRAURKBNTSR1MC4RPAX8 | |
| Maleic Acid SCHEMBL1702367 | 0.88 | RAF1 (0.61) | KDRAURKBNTSR1MC4RPAX8 | |
| Sorafenib SCHEMBL19554804 | 0.87 | KDR (0.84) | KDRAURKBNTSR1MC4RPAX8 |
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-2440531-A2 | POLYMORPHS OF 4-[4-[[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYLAMINO]PHENOXY]-N-METHYL-PYRIDINE-2-CARBOXAMIDE | Ratiopharm GmbH (DE) | 2012-04-18 | — | — | EP | claimed |
| WO-2010142678-A2 | POLYMORPHS OF 4-[4-[[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYLAMINO]PHENOXY]-N-METHYL-PYRIDINE-2-CARBOXAMIDE | RATIOPHARM GMBH (DE) | 2010-12-16 | — | — | WO | claimed |