Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 17/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | 0.84 | AAK1 (0.55) | AAK1NAMPTPARP1 | |
| SCHEMBL16646827 | 0.83 | AAK1 (0.53) | AAK1NAMPTPARP1KDR | |
| SCHEMBL16646814 | 0.80 | AAK1 (0.78) | AAK1 | |
| SCHEMBL20194253 | 0.79 | AAK1 (0.62) | AAK1KDR | |
| SCHEMBL18031733 | 0.78 | AAK1 (0.64) | AAK1 | |
| SCHEMBL20194198 | 0.78 | AAK1 (0.70) | AAK1KDR | |
| SCHEMBL16637743 | 0.77 | AAK1 (0.62) | AAK1 | |
| SCHEMBL16646781 | 0.73 | PARP1 (0.45) | AAK1NAMPTPARP1 | |
| SCHEMBL20194206 | 0.72 | AAK1 (0.57) | AAK1 | |
| SCHEMBL20194175 | 0.72 | AAK1 (0.69) | AAK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3054955-B1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-30 | — | — | EP | disclosed |