Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1816704 | 0.95 | CYP3A4 (0.82) | CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL1817568 | 0.92 | CYP3A4 (0.77) | CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL1817438 | 0.92 | CYP3A4 (0.77) | CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL1818058 | 0.91 | CYP3A4 (0.85) | CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL1818190 | 0.90 | CYP3A4 (0.79) | CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL1819345 | 0.90 | CYP3A4 (0.74) | CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL1816519 | 0.89 | CYP3A4 (0.76) | CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL1818987 | 0.89 | CYP3A4 (0.83) | CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL12655178 | 0.89 | CYP3A4 (0.75) | CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL1820250 | 0.88 | CYP3A4 (1.00) | CYP3A4CYP2C19CYP2C9 |
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 |