Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 4/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12472972 | 0.91 | ADORA2A (0.38) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL12472676 | 0.90 | PI4KA (0.36) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL12472338 | 0.82 | PI4KA (0.34) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL12472761 | 0.82 | PI4KA (0.36) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL12471924 | 0.80 | TP53 (0.36) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL11901795 | 0.77 | NPC1 (0.49) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL11903338 | 0.70 | CYP2C9 (0.37) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL11903340 | 0.70 | CYP2C9 (0.37) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL11901800 | 0.68 | NPC1 (0.51) | PI4KAPI4K2BPI4K2API4KBTP53 | |
| SCHEMBL11964424 | 0.68 | HCAR1 (0.35) | PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |