Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 15/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.38 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4737447 | 0.92 | TYMS (0.38) | TYMSADORA2AADORA1 | |
| SCHEMBL4740440 | 0.86 | TYMS (0.41) | TYMSADORA2AADORA1PIKFYVEADORA3 | |
| SCHEMBL14147955 | 0.85 | ADORA2A (0.46) | ADORA2AADORA1 | |
| SCHEMBL4787508 | 0.80 | PIK3CD (0.44) | — | |
| SCHEMBL4737411 | 0.80 | ADORA2A (0.39) | TYMSADORA2AADORA1PIKFYVE | |
| SCHEMBL4740441 | 0.79 | MEN1 (0.39) | ADORA2AADORA1 | |
| SCHEMBL4787500 | 0.79 | TYMS (0.50) | TYMSADORA2AADORA1PIKFYVEADORA3 | |
| SCHEMBL4741116 | 0.77 | DHFR (0.40) | TYMSADORA2AADORA1 | |
| SCHEMBL14147958 | 0.75 | SMN1; SMN2 (0.42) | ADORA2AADORA1 | |
| SCHEMBL4739014 | 0.75 | PI4KA (0.42) | — |
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 |