Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.51 |
| ▸ | BRAF | P15056 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.48 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL27581861 | 0.80 | PKMYT1 (0.41) | RAPGEF4BRAFMAPTGAAALDH1A1 | |
| SCHEMBL27561396 | 0.80 | ABCG2 (0.44) | RAPGEF4ALDH1A1SYKABCG2 | |
| SCHEMBL27582049 | 0.78 | AKR1C3 (0.53) | EGFR | |
| SCHEMBL27576859 | 0.77 | TNNI3K (0.45) | BRAFCYP3A4TSHREGFRALDH1A1 | |
| SCHEMBL27582103 | 0.77 | KDR (0.40) | BRAFCYP3A4TSHRMAPTEGFR | |
| SCHEMBL27582047 | 0.76 | EGFR (0.48) | MAPTEGFRGAAALDH1A1ABCG2 | |
| SCHEMBL27582110 | 0.74 | KDR (0.35) | RAPGEF4CYP3A4TTBK1TTBK2MAPT | |
| SCHEMBL2986147 | 0.74 | MAPK14 (0.57) | BRAFCYP3A4TSHRTTBK1TTBK2 | |
| SCHEMBL1920770 | 0.74 | CYP3A4 (0.72) | RAPGEF4BRAFCYP3A4TSHRHDAC6 | |
| SCHEMBL3234606 | 0.74 | RAPGEF4 (0.61) | RAPGEF4BRAFCYP3A4TSHRHDAC6 |
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 4 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-1351498-A | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO (US) | 2002-05-29 | — | — | CN | disclosed |