Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | HEXA | P06865 | 1/20 | 0.35 |
| ▸ | HEXB | P07686 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28559977 | 0.90 | CYP17A1 (0.39) | CYP17A1ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL28560025 | 0.88 | CYP17A1 (0.41) | CYP17A1ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL28566843 | 0.87 | PDE4B (0.41) | CYP17A1ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL28913414 | 0.86 | PDE4B (0.40) | CYP17A1ESR1DHFRPDE4BHPGD | |
| SCHEMBL136105 | 0.82 | BRD4 (0.43) | ADORA2AADORA1ADORA3ADORA2BPOLB | |
| SCHEMBL28563811 | 0.80 | TSHR (0.44) | POLBALDH1A1DHFRTSHR | |
| SCHEMBL28560946 | 0.80 | ADORA2A (0.37) | ADORA2AADORA1ADORA3ADORA2BPOLB | |
| SCHEMBL10529530 | 0.76 | ESR1 (0.41) | CYP17A1ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL9444404 | 0.71 | BRD4 (0.47) | ESR1NPC1ALDH1A1RAB9ABRD4 | |
| SCHEMBL10364019 | 0.70 | BRD4 (0.44) | CYP17A1ESR1NPC1ALDH1A1RAB9A |
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-112724596-A | Curable composition and cured product | 盛势达技研株式会社 | 2021-04-30 | — | — | CN | disclosed |