Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.71 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.54 |
| ▸ | CDK2 | P24941 | 4/20 | 0.54 |
| ▸ | KDR | P35968 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11296744 | 0.89 | IKBKB (0.73) | IKBKBCCNA2CDK2KDRCYP1A2 | |
| SCHEMBL13439675 | 0.88 | IKBKB (0.61) | IKBKBCCNA2CDK2KDRCYP1A2 | |
| SCHEMBL11296762 | 0.87 | IKBKB (0.71) | IKBKBCCNA2CDK2KDRCYP1A2 | |
| SCHEMBL11299433 | 0.87 | IKBKB (0.71) | IKBKBCCNA2CDK2KDRCYP1A2 | |
| SCHEMBL11299366 | 0.87 | IKBKB (0.71) | IKBKBCCNA2CDK2KDRCYP1A2 | |
| SCHEMBL11312691 | 0.84 | IKBKB (0.70) | IKBKBCCNA2CDK2KDRCYP1A2 | |
| SCHEMBL2434868 | 0.84 | CDK2 (0.74) | IKBKBCCNA2CDK2KDRCYP1A2 | |
| SCHEMBL11297579 | 0.83 | IKBKB (1.00) | IKBKBCCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL11296777 | 0.82 | IKBKB (0.71) | IKBKBCCNA2CDK2KDRCYP1A2 | |
| SCHEMBL11296836 | 0.79 | KDR (0.61) | IKBKBCCNA2CDK2KDRCYP1A2 |
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-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | US | disclosed |