Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 2/20 | 0.32 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | 0.89 | TYMS (0.42) | TYMSADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL4740440 | 0.86 | TYMS (0.41) | TYMSADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL4737740 | 0.86 | ADORA2A (0.46) | TYMSADORA2AADORA1ADORA2BNQO2 | |
| SCHEMBL4741224 | 0.83 | HRH3 (0.53) | TYMSADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL4740744 | 0.82 | TYMS (0.40) | TYMSADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL4741116 | 0.82 | DHFR (0.40) | TYMSADORA2AADORA1 | |
| SCHEMBL4741251 | 0.81 | ADORA2A (0.43) | TYMSADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL14148428 | 0.80 | TYMS (0.51) | TYMS | |
| SCHEMBL4737408 | 0.79 | ADORA2A (0.40) | ADORA2AADORA1 | |
| SCHEMBL14147954 | 0.79 | ADORA2A (0.39) | TYMSADORA2AADORA1ADORA2BKDM4E |
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 |