Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 10/20 | 0.67 |
| ▸ | TYK2 | P29597 | 10/20 | 0.67 |
| ▸ | JAK3 | P52333 | 7/20 | 0.67 |
| ▸ | JAK2 | O60674 | 6/20 | 0.66 |
| ▸ | CDK1 | P06493 | 8/20 | 0.65 |
| ▸ | CDK2 | P24941 | 6/20 | 0.65 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.63 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.63 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.63 |
| ▸ | CDK4 | P11802 | 2/20 | 0.63 |
| ▸ | CCND1 | P24385 | 2/20 | 0.63 |
| ▸ | CDK9 | P50750 | 2/20 | 0.63 |
| ▸ | CDK11A | Q9UQ88 | 2/20 | 0.63 |
| ▸ | FLT3 | P36888 | 2/20 | 0.63 |
| ▸ | PLK4 | O00444 | 1/20 | 0.63 |
| ▸ | STK25 | O00506 | 1/20 | 0.63 |
| ▸ | RIOK3 | O14730 | 1/20 | 0.63 |
| ▸ | AURKA | O14965 | 1/20 | 0.63 |
| ▸ | GAK | O14976 | 1/20 | 0.63 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL5964877 | 0.89 | CDK1 (0.56) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL5964860 | 0.81 | JAK1 (0.64) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL14288380 | 0.81 | JAK1 (1.00) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL14288391 | 0.81 | JAK1 (0.73) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL1167003 | 0.81 | JAK2 (0.55) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL1167757 | 0.80 | JAK2 (0.58) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL5110157 | 0.80 | CDK1 (0.83) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL4156172 | 0.79 | CDK1 (1.00) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL5964645 | 0.79 | JAK1 (0.74) | JAK1TYK2JAK3JAK2CDK1 | |
| SCHEMBL1168716 | 0.79 | F12 (0.48) | JAK1TYK2JAK3JAK2CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7317031-B2 | Substituted triazole diamine derivatives as kinase inhibitors | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2008-01-08 | — | — | US | disclosed |
| US-7317031-B2 | Substituted triazole diamine derivatives as kinase inhibitors | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2008-01-08 | — | — | US | disclosed |