Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K11 | Q16584 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.37 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.36 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | HCK | P08631 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4737438 | 0.85 | TYMS (0.47) | MAP3K11CYP3A4CYP2D6LRRK2ADORA2A | |
| SCHEMBL6655349 | 0.73 | NPC1 (0.59) | MAP3K11CYP3A4CYP2D6PIP4K2APIP4K2B | |
| SCHEMBL846923 | 0.69 | BRD4 (0.47) | MAP3K11CYP3A4CYP2D6LRRK2ADORA2A | |
| SCHEMBL4787500 | 0.64 | TYMS (0.50) | ADORA2AADORA1 | |
| SCHEMBL27612533 | 0.63 | PIK3CD (0.46) | MAP3K11CYP3A4CYP2D6LRRK2ADORA2A | |
| SCHEMBL4737740 | 0.62 | ADORA2A (0.46) | ADORA2AADORA1CYP11B1CYP11B2 | |
| SCHEMBL5850255 | 0.62 | NPC1 (0.79) | MAP3K11NPC1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL4741259 | 0.60 | TYMS (0.41) | ADORA2AADORA1CYP11B1CYP11B2EGFR | |
| SCHEMBL1640616 | 0.60 | BRAF (0.58) | ADORA2AADORA1CSNK1DMAPK11MAPK14 | |
| SCHEMBL4740440 | 0.60 | TYMS (0.41) | ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |