Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23234411 | 1.00 | CYP17A1 (0.40) | CYP17A1CYP1A2NPC1RAB9ARIPK2 | |
| SCHEMBL23234388 | 0.89 | LCK (0.47) | CYP17A1CYP1A2NPC1RAB9ARIPK2 | |
| SCHEMBL30754185 | 0.89 | LCK (0.47) | CYP17A1CYP1A2NPC1RAB9ARIPK2 | |
| SCHEMBL23234386 | 0.85 | NPC1 (0.51) | CYP1A2NPC1RAB9AMAPK1ALDH1A1 | |
| SCHEMBL23234396 | 0.83 | CYP2A6 (0.43) | NPC1RAB9ARIPK2TLR8MAPK1 | |
| SCHEMBL10267021 | 0.81 | NPC1 (0.42) | NPC1RAB9ARIPK2TLR8MAPK1 | |
| SCHEMBL27682302 | 0.80 | CYP2A6 (0.47) | NPC1RAB9ATLR8MAPK1ALDH1A1 | |
| SCHEMBL30754179 | 0.79 | IRAK4 (0.45) | NPC1RAB9ARIPK2TLR8MAPK1 | |
| SCHEMBL23234414 | 0.79 | IRAK4 (0.45) | NPC1RAB9ARIPK2TLR8MAPK1 | |
| SCHEMBL4933208 | 0.78 | MAPK1 (0.41) | NPC1RAB9ATLR8MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112236421-B | Pyrazole derivatives and pest control agents | 组合化学工业株式会社 | 2023-12-26 | — | — | CN | disclosed |