Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 15/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4741259 | 0.89 | TYMS (0.41) | TYMSADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL4740440 | 0.88 | TYMS (0.41) | TYMSADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL4737740 | 0.87 | ADORA2A (0.46) | TYMSADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL4741251 | 0.87 | ADORA2A (0.43) | TYMSADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL4739911 | 0.85 | TYMS (0.52) | TYMSADORA1ADORA2AADORA2B | |
| SCHEMBL4741224 | 0.84 | HRH3 (0.53) | TYMSADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL4740434 | 0.84 | ADORA2A (0.51) | TYMSADORA1ADORA2AADORA2BKDM4E | |
| SCHEMBL4740744 | 0.83 | TYMS (0.40) | TYMSADORA1ADORA2APDE4BKDM4E | |
| SCHEMBL4738543 | 0.83 | MAP2K4 (0.41) | TYMSP2RX7PDE4B | |
| SCHEMBL14148131 | 0.83 | TYMS (0.38) | TYMSADORA1ADORA2AADORA2BP2RX7 |
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 |