Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13675047 | 0.95 | EGFR (0.59) | EGFRCYP3A4CYP2D6CYP2C19CDK1 | |
| SCHEMBL13672637 | 0.91 | EGFR (0.74) | EGFR | |
| SCHEMBL14461358 | 0.90 | EGFR (0.59) | EGFRCA12ABL1CA2CA9 | |
| SCHEMBL13672636 | 0.87 | EGFR (0.72) | EGFRCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13675196 | 0.85 | EGFR (0.81) | EGFRABL1 | |
| SCHEMBL13674981 | 0.85 | EGFR (0.81) | EGFR | |
| SCHEMBL13675242 | 0.85 | EGFR (0.57) | EGFRCDK1 | |
| SCHEMBL13675161 | 0.83 | EGFR (0.82) | EGFR | |
| SCHEMBL13675165 | 0.80 | EGFR (0.71) | EGFR | |
| SCHEMBL13675240 | 0.78 | EGFR (0.79) | EGFRCDK1 |
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-7605154-B2 | ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-20 | — | — | US | disclosed |