Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 9/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTAFR | P25105 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17653114 | 0.89 | AAK1 (0.41) | AAK1BRD4ABL1BRAFKCNA5 | |
| SCHEMBL17653212 | 0.87 | AAK1 (0.53) | AAK1KCNA5CYP3A4 | |
| SCHEMBL17653108 | 0.86 | AAK1 (0.49) | AAK1BRAFKCNA5ALDH1A1TSHR | |
| SCHEMBL17653266 | 0.83 | AAK1 (0.46) | AAK1BRD4ABL1BRAFKCNA5 | |
| SCHEMBL17653094 | 0.83 | AAK1 (0.38) | AAK1ALDH1A1SMN1; SMN2PDE4B | |
| SCHEMBL17653141 | 0.82 | AAK1 (0.38) | AAK1PDE4B | |
| SCHEMBL17653187 | 0.81 | AAK1 (0.46) | AAK1PDE4B | |
| SCHEMBL17653173 | 0.81 | AAK1 (0.51) | AAK1 | |
| SCHEMBL17653252 | 0.80 | AAK1 (0.41) | AAK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL17653347 | 0.79 | AAK1 (0.41) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3200797-A1 | QUINAZOLINE-BASED KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016053794-A1 | QUINAZOLINE-BASED KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-04-07 | — | — | WO | disclosed |