Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | CPS1 | P31327 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3480415 | 0.78 | NPC1 (0.45) | CYP1A2CYP3A4KDM4EMAPTALDH1A1 | |
| SCHEMBL22492226 | 0.78 | ALDH1A1 (0.49) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL779536 | 0.76 | DDR1 (0.38) | ALDH1A1NPC1RAB9ACA2DDR1 | |
| SCHEMBL29722933 | 0.76 | DDR1 (0.38) | ALDH1A1NPC1RAB9ACA2DDR1 | |
| SCHEMBL25122311 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL16676451 | 0.75 | ADRA1A (0.45) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL28072988 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL13461857 | 0.75 | NPC1 (0.37) | CYP1A2MAPTHPGDKIF11NPC1 | |
| SCHEMBL11896544 | 0.74 | MEN1 (0.51) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL16676238 | 0.74 | NQO2 (0.44) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2501236-B1 | N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer | PLEXXIKON INC (US) | 2017-03-29 | — | — | EP | disclosed |