Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.75 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.56 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.54 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.49 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.49 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29746239 | 0.86 | CYP2A6 (1.00) | CYP2A6PDGFRBPDGFRACYP19A1CYP17A1 | |
| SCHEMBL3612716 | 0.86 | CYP2A6 (1.00) | CYP2A6PDGFRBPDGFRACYP19A1CYP17A1 | |
| SCHEMBL29832072 | 0.83 | CYP2A6 (0.93) | CYP2A6PDGFRBPDGFRACYP19A1CYP17A1 | |
| SCHEMBL1760672 | 0.81 | CYP2A6 (0.68) | CYP2A6CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL17945834 | 0.79 | CYP2A6 (0.79) | CYP2A6PDGFRBPDGFRACYP19A1CYP17A1 | |
| SCHEMBL26572253 | 0.78 | CYP2A6 (0.63) | CYP2A6PDGFRBPDGFRACYP19A1CYP17A1 | |
| SCHEMBL26572255 | 0.78 | CYP2A6 (0.63) | CYP2A6PDGFRBPDGFRACYP19A1CYP17A1 | |
| SCHEMBL18905218 | 0.78 | CYP19A1 (0.68) | CYP2A6CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL18327540 | 0.77 | PDGFRB (0.56) | CYP2A6PDGFRBPDGFRAMAPKAPK2MAP4K4 | |
| SCHEMBL21264426 | 0.77 | NPC1 (0.75) | CYP2A6PDGFRBPDGFRACYP19A1CYP17A1 |
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-2590946-A1 | BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES | Merck Patent GmbH (DE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012003912-A1 | BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES | MERCK PATENT GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |