Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 9/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.32 |
| ▸ | SRC | P12931 | 2/20 | 0.32 |
| ▸ | ZAP70 | P43403 | 2/20 | 0.32 |
| ▸ | SYK | P43405 | 2/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL28996009 | 1.00 | ADORA2A (0.39) | ADORA2AHSP90AA1TLR7HPGDCYP1A1 | |
| SCHEMBL30252594 | 0.84 | ADORA2A (0.39) | ADORA2AHSP90AA1TLR7HPGDCYP1A1 | |
| SCHEMBL28996033 | 0.84 | ADORA2A (0.39) | ADORA2AHSP90AA1TLR7HPGDCYP1A1 | |
| SCHEMBL28996233 | 0.82 | HSP90AA1 (0.43) | ADORA2AHSP90AA1TLR7HPGDCYP1A1 | |
| SCHEMBL30252927 | 0.81 | ADORA2A (0.40) | ADORA2AHSP90AA1HPGDCYP1A1CYP1A2 | |
| SCHEMBL28996141 | 0.81 | ADORA2A (0.40) | ADORA2AHSP90AA1HPGDCYP1A1CYP1A2 | |
| SCHEMBL28996098 | 0.81 | HSP90AA1 (0.38) | ADORA2AHSP90AA1TLR7HPGDCYP1A1 | |
| SCHEMBL30253005 | 0.81 | HSP90AA1 (0.38) | ADORA2AHSP90AA1TLR7HPGDCYP1A1 | |
| SCHEMBL30253003 | 0.80 | ADORA2A (0.39) | ADORA2AHSP90AA1TLR7HPGDCYP1A1 | |
| SCHEMBL20911255 | 0.79 | ADORA2A (0.58) | ADORA2AHSP90AA1HPGDCYP1A1CYP1A2 |
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 |