Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.35 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4738543 | 0.88 | MAP2K4 (0.41) | TYMSMAP2K4NPC1RAB9APDE4B | |
| SCHEMBL4740440 | 0.84 | TYMS (0.41) | TYMSADORA2AADORA1KDM4E | |
| SCHEMBL4741246 | 0.83 | TYMS (0.42) | TYMSADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL4741259 | 0.82 | TYMS (0.41) | TYMSADORA2AADORA1KDM4EMEN1 | |
| SCHEMBL4741116 | 0.81 | DHFR (0.40) | TYMSCHUKADORA2AADORA1IKBKB | |
| SCHEMBL4741224 | 0.81 | HRH3 (0.53) | TYMSADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL4741115 | 0.78 | PIK3CD (0.40) | ADORA2AADORA1BRAF | |
| SCHEMBL14148428 | 0.78 | TYMS (0.51) | TYMSGAA | |
| SCHEMBL4741251 | 0.76 | ADORA2A (0.43) | TYMSCHUKADORA2AADORA1KDM4E | |
| SCHEMBL4737740 | 0.76 | ADORA2A (0.46) | TYMSADORA2AADORA1KDM4EHTT |
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 |