Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 11/20 | 0.44 |
| ▸ | CA1 | P00915 | 10/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GNG2 | P59768 | 1/20 | 0.44 |
| ▸ | GNB1 | P62873 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27576859 | 0.86 | TNNI3K (0.45) | TNNI3KALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27561375 | 0.78 | CA2 (0.42) | TNNI3KCA9CA2CA1CA12 | |
| SCHEMBL27581881 | 0.77 | ALDH1A1 (0.47) | TNNI3KMAPTALDH1A1MAPK1 | |
| SCHEMBL27561547 | 0.74 | RAPGEF4 (0.51) | MAPTALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27582049 | 0.72 | AKR1C3 (0.53) | — | |
| SCHEMBL27582086 | 0.72 | KDM4E (0.45) | ALDH1A1 | |
| SCHEMBL27582099 | 0.72 | CA2 (0.50) | CA9CA2CA1CA12 | |
| SCHEMBL1765247 | 0.72 | CA2 (0.63) | POLBCA9CA2CA1CA12 | |
| SCHEMBL29899154 | 0.72 | CA2 (0.63) | POLBCA9CA2CA1CA12 | |
| SCHEMBL29932745 | 0.71 | CA2 (0.61) | POLBCA9CA2CA1CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1351498-B | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO | 2012-08-15 | — | — | CN | claimed |
| CN-1351498-A | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO (US) | 2002-05-29 | — | — | CN | claimed |
| CN-1351498-B | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO | 2012-08-15 | — | — | CN | disclosed |
| CN-1622946-A | Methods of treating conditions associated with p38 kinase and pyrrolotriazine compounds useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2005-06-01 | — | — | CN | disclosed |
| CN-1351498-A | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO (US) | 2002-05-29 | — | — | CN | disclosed |