Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | 0.86 | ADORA2A (0.42) | ADORA2AHSP90AA1RAB9APDPK1ADORA1 | |
| SCHEMBL20911213 | 0.86 | ADORA2A (0.42) | ADORA2AHSP90AA1RAB9APDPK1ADORA1 | |
| SCHEMBL30252375 | 0.84 | ADORA2A (0.58) | ADORA2AHSP90AA1RAB9AADORA1SYK | |
| SCHEMBL20911255 | 0.84 | ADORA2A (0.58) | ADORA2AHSP90AA1RAB9AADORA1SYK | |
| SCHEMBL30252574 | 0.84 | ADORA2A (0.40) | ADORA2AHSP90AA1RAB9APDPK1ADORA1 | |
| SCHEMBL20911240 | 0.83 | CCR1 (0.47) | ADORA2AHSP90AA1RAB9AADORA1KDM4E | |
| SCHEMBL30252590 | 0.82 | HSP90AA1 (0.43) | ADORA2AHSP90AA1RAB9AADORA1SYK | |
| SCHEMBL20911188 | 0.81 | KDM4E (0.47) | ADORA2AHSP90AA1RAB9APDPK1ADORA1 | |
| SCHEMBL30252648 | 0.81 | ADORA2A (0.40) | ADORA2AHSP90AA1RAB9AADORA1SYK | |
| SCHEMBL20911562 | 0.77 | ADORA2A (0.41) | ADORA2AHSP90AA1RAB9AADORA1SYK |
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 |