Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL30252927 | 1.00 | ADORA2A (0.40) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30253003 | 0.82 | ADORA2A (0.39) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28996060 | 0.81 | ADORA2A (0.41) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30252999 | 0.81 | ADORA2A (0.41) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30252375 | 0.81 | ADORA2A (0.58) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL20911255 | 0.81 | ADORA2A (0.58) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30252594 | 0.81 | ADORA2A (0.39) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30252995 | 0.81 | ADORA2A (0.39) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28996009 | 0.81 | ADORA2A (0.39) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28996033 | 0.81 | ADORA2A (0.39) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 |
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-109651358-B | 4-aminopyridine derivative, pharmaceutical composition, preparation method and application thereof | 上海迪诺医药科技有限公司 | 2023-04-07 | — | — | CN | disclosed |