Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.46 |
| ▸ | NQO2 | P16083 | 3/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741246 | 0.87 | TYMS (0.42) | ADORA2AADORA2BADORA1TYMSKDM4E | |
| SCHEMBL4741259 | 0.86 | TYMS (0.41) | ADORA2ANQO2ADORA2BADORA1HRH3 | |
| SCHEMBL4741251 | 0.82 | ADORA2A (0.43) | ADORA2AADORA2BADORA1TYMSKDM4E | |
| SCHEMBL14147950 | 0.81 | MEN1 (0.40) | ADORA2ANQO2ADORA2BADORA1CYP11B1 | |
| SCHEMBL4740440 | 0.80 | TYMS (0.41) | ADORA2AADORA2BADORA1HRH3TYMS | |
| SCHEMBL4740434 | 0.79 | ADORA2A (0.51) | ADORA2AADORA2BADORA1HRH3TYMS | |
| SCHEMBL4738543 | 0.78 | MAP2K4 (0.41) | TYMS | |
| SCHEMBL4736829 | 0.78 | JAK2 (0.39) | ADORA2AADORA1TYMS | |
| SCHEMBL4741224 | 0.77 | HRH3 (0.53) | ADORA2AADORA1HRH3TYMSKDM4E | |
| SCHEMBL4786839 | 0.77 | PIKFYVE (0.39) | ADORA2ATYMS |
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 |