Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 3/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11964435 | 0.91 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 | |
| SCHEMBL11902184 | 0.83 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 | |
| SCHEMBL11901800 | 0.83 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 | |
| SCHEMBL11901810 | 0.80 | PIK3CD (0.35) | NPC1RAB9APIK3CDPIK3R1PIK3CA | |
| SCHEMBL11901167 | 0.78 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 | |
| SCHEMBL11901170 | 0.78 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 | |
| SCHEMBL11901249 | 0.77 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 | |
| SCHEMBL11901248 | 0.77 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 | |
| SCHEMBL11964439 | 0.77 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 | |
| SCHEMBL11964441 | 0.75 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2CYP2C19FLT3 |
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 |