Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL16670934 | 1.00 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL2599462 | 0.87 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL2599461 | 0.82 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL16671104 | 0.82 | PIK3CD (0.54) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL936036 | 0.80 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12471910 | 0.78 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL936140 | 0.77 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL4228491 | 0.77 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL23126564 | 0.76 | PIK3CB (0.55) | NPC1RAB9ASMN1; SMN2PIK3CD | |
| SCHEMBL15260579 | 0.76 | PIK3CG (0.57) | NPC1RAB9ASMN1; SMN2PIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015061204-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-30 | — | — | WO | claimed |
| WO-2015061204-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-30 | — | — | WO | disclosed |