Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.47 |
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL4737419 | 0.85 | MAP3K11 (0.38) | ADORA2AADORA1CYP3A4CYP2D6MAP3K11 | |
| SCHEMBL6651001 | 0.74 | TYMS (0.59) | TYMSPARP10PARP11 | |
| SCHEMBL846923 | 0.71 | BRD4 (0.47) | ADORA2AADORA1CYP3A4CYP2D6MAP3K11 | |
| SCHEMBL4737435 | 0.69 | TYMS (0.47) | TYMSMAP3K14CSNK1DKDR | |
| SCHEMBL4787500 | 0.66 | TYMS (0.50) | TYMSADORA2AADORA1 | |
| SCHEMBL4739911 | 0.65 | TYMS (0.52) | TYMSADORA2AADORA1 | |
| SCHEMBL27612533 | 0.65 | PIK3CD (0.46) | AHRADORA2AADORA1CYP3A4CYP2D6 | |
| SCHEMBL6648692 | 0.65 | TYMS (1.00) | TYMS | |
| SCHEMBL3462787 | 0.64 | AHR (0.70) | AHRCYP2A6NR4A2MAP3K11NISCH | |
| SCHEMBL74304 | 0.64 | AHR (1.00) | AHRCYP2A6NR4A2CYP3A4NPC1 |
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 |