Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 1/20 | 0.47 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.41 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL12590010 | 0.85 | POLB (0.56) | QPCTQPCTLGABRA1GABRG2GABRB3 | |
| SCHEMBL2646371 | 0.78 | GABRA1 (0.53) | QPCTQPCTLGABRA1GABRG2GABRB3 | |
| SCHEMBL14668386 | 0.76 | FGFR1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2656285 | 0.75 | GABRA1 (0.58) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2647150 | 0.75 | FGFR1 (0.60) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2646283 | 0.75 | GABRA1 (0.58) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL16035814 | 0.75 | FGFR1 (0.67) | ALDH1A1CYP17A1FGFR1RPS6KA5MKNK1 | |
| SCHEMBL2644075 | 0.75 | GABRA1 (0.52) | QPCTQPCTLGABRA1GABRG2GABRB3 | |
| Lithium Ion SCHEMBL17315130 | 0.75 | GABRA1 (0.48) | QPCTQPCTLGABRA1GABRG2GABRB3 | |
| SCHEMBL17323692 | 0.75 | GABRA1 (0.48) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |