Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6845072 | 0.72 | ADORA2A (0.56) | ADORA2AADORA1NPC1RAB9AMEN1 | |
| SCHEMBL6842785 | 0.72 | ADORA2A (0.52) | ADORA2AADORA1NPC1RAB9AMEN1 | |
| SCHEMBL2754017 | 0.72 | ADORA2A (0.70) | ADORA2AADORA1MEN1KMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL953749 | 0.71 | ADORA2A (0.55) | ADORA2AADORA1NPC1RAB9AMEN1 | |
| SCHEMBL2752611 | 0.68 | ADORA1 (0.64) | ADORA2AADORA1MEN1KMT2AL3MBTL1 | |
| SCHEMBL2754027 | 0.67 | ADORA1 (0.63) | ADORA2AADORA1MEN1KMT2AL3MBTL1 | |
| SCHEMBL1450304 | 0.65 | ADORA2A (0.63) | ADORA2AADORA1MEN1KMT2AL3MBTL1 | |
| SCHEMBL1449569 | 0.64 | ADORA2A (1.00) | ADORA2AADORA1ACHE | |
| SCHEMBL1449473 | 0.64 | ADORA2A (1.00) | ADORA2AADORA1MEN1KMT2AL3MBTL1 | |
| SCHEMBL3591195 | 0.64 | MEN1 (0.78) | NPC1RAB9AMEN1KMT2AL3MBTL1 |
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-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |