Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17653094 | 0.87 | AAK1 (0.38) | AAK1MMP13MMP2SMN1; SMN2ALDH1A1 | |
| SCHEMBL17653212 | 0.86 | AAK1 (0.53) | AAK1MMP13MMP2 | |
| SCHEMBL17653121 | 0.85 | CYP3A4 (0.34) | AAK1MMP13MMP2SMN1; SMN2KMT2A | |
| SCHEMBL17653141 | 0.84 | AAK1 (0.38) | AAK1MEN1HSP90AA1KMT2AHTT | |
| SCHEMBL17653187 | 0.83 | AAK1 (0.46) | AAK1MEN1HSP90AA1KMT2AHTT | |
| SCHEMBL17653133 | 0.80 | AAK1 (0.42) | AAK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL17653108 | 0.80 | AAK1 (0.49) | AAK1ALDH1A1LMNAUSP2 | |
| SCHEMBL17653349 | 0.80 | AAK1 (0.45) | AAK1SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL17653344 | 0.79 | AAK1 (0.36) | AAK1SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL17653172 | 0.78 | AAK1 (0.39) | AAK1SMN1; SMN2ALDH1A1MEN1KMT2A |
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 |