Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 11/20 | 0.64 |
| ▸ | ERBB2 | P04626 | 9/20 | 0.61 |
| ▸ | EGFR | P00533 | 8/20 | 0.61 |
| ▸ | LCK | P06239 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL20194232 | 0.92 | AAK1 (0.65) | AAK1ERBB2EGFRLCKKDR | |
| SCHEMBL20194175 | 0.90 | AAK1 (0.69) | AAK1ERBB2EGFR | |
| SCHEMBL20194171 | 0.87 | ERBB2 (0.64) | AAK1ERBB2EGFRLCKKDR | |
| SCHEMBL1218552 | 0.83 | ERBB2 (0.84) | AAK1ERBB2EGFRLCKKDR | |
| SCHEMBL20194197 | 0.80 | AAK1 (0.60) | AAK1ERBB2EGFR | |
| SCHEMBL20194178 | 0.79 | AAK1 (0.60) | AAK1ERBB2EGFR | |
| SCHEMBL20194194 | 0.79 | AAK1 (0.63) | AAK1ERBB2EGFRLCKKDR | |
| SCHEMBL16635910 | 0.78 | AAK1 (1.00) | AAK1ERBB2EGFR | |
| SCHEMBL16636920 | 0.77 | AAK1 (1.00) | AAK1ERBB2EGFR | |
| SCHEMBL1220077 | 0.77 | EGFR (1.00) | AAK1ERBB2EGFRLCKKDR |
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 |