Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL17653349 | 0.87 | AAK1 (0.45) | AAK1ALDH1A1L3MBTL1MEN1HTT | |
| SCHEMBL17653175 | 0.87 | KDM4E (0.43) | AAK1ALDH1A1L3MBTL1MEN1HTT | |
| SCHEMBL17653150 | 0.83 | AAK1 (0.49) | AAK1ALDH1A1L3MBTL1MEN1HTT | |
| SCHEMBL17653084 | 0.82 | KDM4E (0.44) | AAK1ALDH1A1L3MBTL1MEN1HTT | |
| SCHEMBL17653266 | 0.79 | AAK1 (0.46) | AAK1KDM4EMMP13 | |
| SCHEMBL17653107 | 0.79 | KDM4E (0.41) | AAK1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL17653110 | 0.76 | IMPDH2 (0.46) | AAK1KDM4E | |
| SCHEMBL17663471 | 0.73 | AAK1 (0.68) | AAK1 | |
| SCHEMBL17653214 | 0.71 | GAA (0.38) | AAK1ALDH1A1L3MBTL1HTTSMN1; SMN2 | |
| SCHEMBL17653327 | 0.70 | GAA (0.43) | ALDH1A1L3MBTL1HTTSMN1; SMN2KDM4E |
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 |