Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 13/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16646783 | 0.93 | AAK1 (0.55) | AAK1EGFRERBB2PARP1NAMPT | |
| SCHEMBL16646814 | 0.84 | AAK1 (0.78) | AAK1 | |
| SCHEMBL16637743 | 0.84 | AAK1 (0.62) | AAK1EGFR | |
| SCHEMBL18031733 | 0.84 | AAK1 (0.64) | AAK1EGFR | |
| SCHEMBL20194247 | 0.83 | AAK1 (0.50) | AAK1PARP1NAMPTKDR | |
| SCHEMBL18011056 | 0.81 | AAK1 (0.58) | AAK1EGFRERBB2KDRAURKA | |
| SCHEMBL16646781 | 0.80 | PARP1 (0.45) | AAK1PARP1NAMPT | |
| SCHEMBL16646843 | 0.78 | AAK1 (0.73) | AAK1EGFRERBB2 | |
| SCHEMBL20184196 | 0.75 | AAK1 (0.83) | AAK1 | |
| SCHEMBL14017663 | 0.72 | AAK1 (0.74) | AAK1EGFRERBB2KDR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015054358-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-04-16 | — | — | WO | disclosed |