Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | SYK | P43405 | 3/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30252710 | 0.88 | ADORA2A (0.42) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL20911213 | 0.88 | ADORA2A (0.42) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30252544 | 0.84 | ADORA2A (0.43) | ADORA2AHSP90AA1RAB9AADORA1SYK | |
| SCHEMBL30252590 | 0.81 | HSP90AA1 (0.43) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL20911255 | 0.81 | ADORA2A (0.58) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30252375 | 0.81 | ADORA2A (0.58) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30252750 | 0.80 | SYK (0.38) | ADORA2AHSP90AA1SYKSRCCDK2 | |
| SCHEMBL20911562 | 0.79 | ADORA2A (0.41) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30252564 | 0.79 | ADORA2A (0.41) | ADORA2AHSP90AA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL20911608 | 0.76 | MAP4K4 (0.38) | ADORA2AADORA1PIM1 |
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 |