Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.85 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.83 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.83 |
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 | |
|---|---|---|---|---|
| SCHEMBL1086178 | 0.92 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1094243 | 0.92 | CYP2C9 (0.81) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1085861 | 0.91 | CYP2C9 (1.00) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1093342 | 0.91 | CYP2C9 (0.88) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL288493 | 0.91 | CYP2C9 (0.85) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1085683 | 0.91 | CYP2C9 (1.00) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1817636 | 0.90 | CYP2C9 (0.78) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1085927 | 0.89 | CYP2C19 (1.00) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1086056 | 0.89 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12563144 | 0.88 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153641-B2 | Pyrrolo(2,3-d)pyrimidine kinase inhibitors; melanoma, colorectal cancer, pain, polycystic kidney disease and other Raf protein kinase related conditions; e.g. Propane-1-sulfonic acid[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-amide; Raf kinases including B-raf, A-raf | PLEXXIKON INC. (US) | 2012-04-10 | — | — | US | disclosed |