Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18645379 | 0.85 | NUDT1 (0.64) | NUDT1NPC1RAB9ANOS2NOS3 | |
| SCHEMBL22298549 | 0.83 | NUDT1 (0.57) | NUDT1NPC1RAB9AELANELCK | |
| SCHEMBL19943058 | 0.81 | NUDT1 (0.42) | NUDT1NPC1RAB9AELANEMAPT | |
| SCHEMBL19939697 | 0.80 | NUDT1 (0.41) | NUDT1NPC1RAB9AELANELMNA | |
| SCHEMBL18645375 | 0.77 | NUDT1 (0.68) | NUDT1NPC1RAB9ANOS2NOS3 | |
| SCHEMBL3529852 | 0.77 | NUDT1 (1.00) | NUDT1NPC1RAB9ANOS2NOS3 | |
| SCHEMBL18645373 | 0.74 | NUDT1 (0.68) | NUDT1NPC1RAB9ANOS2NOS3 | |
| SCHEMBL18645374 | 0.73 | NUDT1 (0.62) | NUDT1NPC1RAB9AELANELCK | |
| SCHEMBL18645381 | 0.73 | NUDT1 (0.62) | NUDT1NPC1RAB9ANOS2NOS3 | |
| SCHEMBL4019411 | 0.71 | NUDT1 (0.64) | NUDT1NPC1RAB9ANOS2NOS3 |
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-3347361-B1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2020-08-05 | — | — | EP | disclosed |
| WO-2017042182-A1 | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-16 | — | — | WO | disclosed |