Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.53 |
| ▸ | PIM1 | P11309 | 2/20 | 0.51 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.49 |
| ▸ | TEK | Q02763 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3032703 | 0.84 | KDR (0.62) | NPC1RAB9ATDP1KDRGABRG2 | |
| SCHEMBL16526831 | 0.82 | CYP2A6 (0.54) | NPC1RAB9ATGFBR1PIM1KDR | |
| SCHEMBL12505619 | 0.81 | TGFBR1 (0.50) | NPC1TGFBR1PIM1KDRGABRG2 | |
| SCHEMBL1760672 | 0.80 | CYP2A6 (0.68) | PIM1ALDH1A1CYP2A6AXLMAPKAPK2 | |
| SCHEMBL19238778 | 0.79 | CYP2A6 (0.58) | ALDH1A1CYP2A6AXLDYRK1AMKNK2 | |
| SCHEMBL2650329 | 0.78 | NPC1 (0.59) | NPC1RAB9ATDP1PIM1KDR | |
| SCHEMBL319631 | 0.77 | PDGFRB (0.54) | NPC1RAB9ATDP1TGFBR1PIM1 | |
| SCHEMBL18905218 | 0.77 | CYP19A1 (0.68) | NPC1RAB9APIM1KDRALDH1A1 | |
| SCHEMBL12957243 | 0.75 | CYP2A6 (0.66) | PIM1ALDH1A1CYP2A6MAPKAPK2CYP1A2 | |
| SCHEMBL30066479 | 0.75 | CYP2A6 (0.58) | ALDH1A1CYP2A6MAP4K4AXLDYRK1A |
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 |