Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | VHL | P40337 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.44 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12590009 | 0.85 | QPCT (0.47) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6659220 | 0.79 | CYP11B1 (0.53) | VHLCYP17A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL18999462 | 0.79 | POLB (0.52) | POLBKDRLCKFGFR1ALDH1A1 | |
| SCHEMBL16036625 | 0.77 | POLB (0.70) | POLBCYP17A1CYP1A2FGFR1ALDH1A1 | |
| SCHEMBL11988767 | 0.76 | POLB (0.64) | POLBCYP11B1CYP11B2KDRFGFR1 | |
| SCHEMBL12051554 | 0.76 | ALOX5AP (0.47) | VHLQPCTQPCTLCYP17A1CYP11B1 | |
| SCHEMBL28571576 | 0.75 | POLB (0.66) | POLBCYP17A1CYP1A2LCKFGFR1 | |
| SCHEMBL16037807 | 0.74 | POLB (0.70) | POLBCYP17A1CYP1A2FGFR1ALDH1A1 | |
| SCHEMBL3149017 | 0.73 | AURKA (0.60) | KDRLCKFGFR1 | |
| SCHEMBL7501680 | 0.73 | MKNK2 (0.71) | LCKMKNK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2336122-B1 | 1-PYRIMIDINYL- OR 1-PYRIDINYL-2-AMINO BENZIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF PROTEIN KINASES FOR THE TREATMENT OF CANCER | VERTEX PHARMA (US) | 2014-05-14 | — | — | EP | disclosed |
| EP-2336122-A1 | 1-pyrimidinyl- or 1-pyridinyl-2-amino benzimidazole derivatives and related compounds as inhibitors of protein kinases for the treatment of cancer | Vertex Pharmaceuticals Incorporated (US) | 2011-06-22 | — | — | EP | disclosed |
| WO-2007015923-A2 | BENZIMIDAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-02-08 | — | — | WO | disclosed |