Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.51 |
| ▸ | HRH2 | P25021 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741224 | 0.88 | HRH3 (0.53) | ADORA2AADORA1HRH2HRH3MAPT | |
| SCHEMBL4741246 | 0.84 | TYMS (0.42) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL4741251 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1ADORA2BMAPTKDM4E | |
| SCHEMBL4736829 | 0.81 | JAK2 (0.39) | ADORA2AADORA1TYMS | |
| SCHEMBL4738543 | 0.80 | MAP2K4 (0.41) | TYMS | |
| SCHEMBL4737740 | 0.79 | ADORA2A (0.46) | ADORA2AADORA1HRH3ADORA2BKDM4E | |
| SCHEMBL4741122 | 0.79 | TYMS (0.55) | ADORA2AADORA1HRH2HRH3ADORA2B | |
| SCHEMBL4741259 | 0.78 | TYMS (0.41) | ADORA2AADORA1HRH2HRH3ADORA2B | |
| SCHEMBL4785896 | 0.78 | ADORA2A (0.41) | ADORA2AADORA1PIK3CG | |
| SCHEMBL4740440 | 0.78 | TYMS (0.41) | ADORA2AADORA1HRH2HRH3ADORA2B |
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 |