Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.55 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MPI | P34949 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741268 | 0.93 | TYMS (0.57) | TYMSNPY5RADORA2AADORA1KDM4E | |
| SCHEMBL4739002 | 0.84 | TYMS (0.51) | TYMSNPY5RADORA2AADORA1KDM4E | |
| SCHEMBL4741749 | 0.84 | NPY5R (0.50) | TYMSNPY5RADORA2AADORA1KDM4E | |
| SCHEMBL4741223 | 0.80 | TYMS (0.62) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL4741224 | 0.79 | HRH3 (0.53) | TYMSADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL4740434 | 0.79 | ADORA2A (0.51) | TYMSADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL8067781 | 0.77 | ACHE (0.65) | NPY5RADORA2AADORA1KDM4EADORA2B | |
| SCHEMBL4741246 | 0.77 | TYMS (0.42) | TYMSADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL4739911 | 0.74 | TYMS (0.52) | TYMSADORA2AADORA1ADORA2BACHE | |
| SCHEMBL8072372 | 0.74 | ADORA2A (0.73) | ADORA2AADORA1ADORA2BHRH3 |
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 2 patents. 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 |
| WO-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |