Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 4/20 | 0.43 |
| ▸ | PRKDC | P78527 | 2/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1442484 | 0.92 | HCRTR1 (0.43) | PIK3CAMEN1ALDH1A1KMT2ANPC1 | |
| SCHEMBL12812422 | 0.91 | PRKDC (0.49) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL12812437 | 0.90 | ATR (0.49) | CYP1A2CYP2C19CYP2D6MTORPRKDC | |
| SCHEMBL1442713 | 0.82 | ALDH1A1 (0.61) | CYP1A2CYP2C19CYP2D6TDP1MTOR | |
| SCHEMBL12812446 | 0.81 | HPGD (0.49) | PIK3CAMEN1ALDH1A1KMT2AHCRTR1 | |
| SCHEMBL12812447 | 0.80 | PTPN11 (0.46) | CYP1A2CYP2C19CYP2D6PIK3CAMEN1 | |
| SCHEMBL12811951 | 0.80 | HPGD (0.45) | CYP1A2MTORPRKDCPIK3CDPIK3CA | |
| SCHEMBL1442987 | 0.80 | ALDH1A1 (0.50) | CYP1A2CYP2C19MTORPRKDCPIK3CD | |
| SCHEMBL1442982 | 0.78 | ATR (0.49) | CYP1A2CYP2C19CYP2D6MTORPRKDC | |
| SCHEMBL1442476 | 0.78 | TNIK (0.54) | CYP1A2CYP2C19MTORPRKDCPIK3CD |
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-2473498-A1 | SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS | Bayer Pharma Aktiengesellschaft (DE) | 2012-07-11 | — | — | EP | claimed |
| WO-2011026579-A1 | SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-03-10 | — | — | WO | claimed |