Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | HRH2 | P25021 | 2/20 | 0.53 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TYMS | P04818 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4740434 | 0.88 | ADORA2A (0.51) | HRH3HRH2KDM4EALDH1A1MAPT | |
| SCHEMBL4741268 | 0.86 | TYMS (0.57) | HRH3HRH2PDCD1CD274KDM4E | |
| SCHEMBL4740440 | 0.85 | TYMS (0.41) | HRH3HRH2KDM4ETYMSADORA1 | |
| SCHEMBL4741246 | 0.84 | TYMS (0.42) | KDM4EALDH1A1TYMSADORA1ADORA2A | |
| SCHEMBL4741259 | 0.83 | TYMS (0.41) | HRH3HRH2KDM4EALDH1A1TYMS | |
| SCHEMBL4741116 | 0.82 | DHFR (0.40) | TYMSADORA1ADORA2A | |
| SCHEMBL4740744 | 0.81 | TYMS (0.40) | KDM4EALDH1A1MAPTHTTTYMS | |
| SCHEMBL4741122 | 0.79 | TYMS (0.55) | HRH3HRH2KDM4EALDH1A1MAPT | |
| SCHEMBL4786839 | 0.77 | PIKFYVE (0.39) | TYMSADORA2A | |
| SCHEMBL4741251 | 0.77 | ADORA2A (0.43) | KDM4EMAPTTYMSADORA1KMT2A |
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 |