Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 17/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3582780 | 0.91 | AURKB (0.49) | KDRAURKBPARP1ELANEKCNH2 | |
| SCHEMBL3586249 | 0.86 | KDR (0.54) | KDRAURKBPARP1 | |
| SCHEMBL3580139 | 0.85 | AURKB (0.46) | KDRAURKBPARP1CYP3A4CYP2C9 | |
| SCHEMBL6582952 | 0.78 | KDR (0.41) | KDRAURKBPARP1 | |
| SCHEMBL3577370 | 0.78 | KDR (0.65) | KDRAURKBPARP1 | |
| SCHEMBL3576439 | 0.77 | KDR (0.38) | KDRAURKBPARP1CYP3A4CYP2C9 | |
| SCHEMBL3582143 | 0.75 | AURKB (0.56) | KDRAURKBPARP1 | |
| SCHEMBL3580644 | 0.71 | AURKB (0.76) | KDRAURKBPARP1 | |
| SCHEMBL3584745 | 0.71 | PARP1 (0.39) | AURKBPARP1CYP3A4CYP2C9 | |
| SCHEMBL3578629 | 0.70 | AURKB (0.64) | KDRAURKBPARP1 |
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-7781596-B1 | Substituted 2-phenylbenzimidazoles, the production thereof and their use | ABBOTT LABORATORIES (US) | 2010-08-24 | — | — | US | disclosed |