Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28636601 | 0.80 | CYP17A1 (0.31) | CYP17A1CYP1A2ARKAT2BFDPS | |
| SCHEMBL21555726 | 0.78 | CYP17A1 (0.54) | CYP17A1CYP1A2ADORA2AADORA1AR | |
| SCHEMBL28625938 | 0.78 | CYP17A1 (0.51) | CYP17A1CYP1A2ADORA2AADORA1AR | |
| SCHEMBL28854068 | 0.74 | ADA (0.31) | KAT2B | |
| SCHEMBL30119632 | 0.72 | CYP17A1 (0.60) | CYP17A1CYP1A2ADORA2AADORA1AR | |
| SCHEMBL31363591 | 0.67 | CYP17A1 (0.51) | CYP17A1CYP1A2AR | |
| SCHEMBL903225 | 0.66 | CYP17A1 (0.70) | CYP17A1CYP1A2 | |
| SCHEMBL38662718 | 0.65 | TDP1 (0.63) | FDPS | |
| SCHEMBL28634932 | 0.64 | CYP17A1 (0.48) | CYP17A1CYP1A2AR | |
| SCHEMBL27896288 | 0.64 | TERT (0.40) | KAT2B |
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-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2021-09-24 | — | — | CN | disclosed |