Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 14/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28345882 | 0.89 | ADORA1 (0.61) | ADORA1ADORA2AKMT2AMAP4K4TGFBR1 | |
| SCHEMBL29947093 | 0.89 | ADORA1 (0.61) | ADORA1ADORA2AKMT2AMAP4K4TGFBR1 | |
| SCHEMBL29947057 | 0.88 | ADORA1 (0.55) | ADORA1ADORA2AKMT2ARPS6KA3MAP4K4 | |
| SCHEMBL21621288 | 0.88 | ADORA1 (0.55) | ADORA1ADORA2AKMT2ARPS6KA3MAP4K4 | |
| SCHEMBL21621287 | 0.81 | ADORA1 (0.39) | ADORA1ADORA2AKMT2ARPS6KA3MAP4K4 | |
| SCHEMBL29947005 | 0.81 | ADORA1 (0.39) | ADORA1ADORA2AKMT2ARPS6KA3MAP4K4 | |
| SCHEMBL21621289 | 0.80 | ADORA2A (0.53) | ADORA1ADORA2ATGFBR1LCKKDR | |
| SCHEMBL30209591 | 0.80 | ADORA1 (0.41) | ADORA1ADORA2AKMT2ARPS6KA3MAP4K4 | |
| SCHEMBL29947063 | 0.80 | ADORA2A (0.53) | ADORA1ADORA2ATGFBR1LCKKDR | |
| SCHEMBL28345986 | 0.80 | MAP4K4 (0.39) | ADORA1ADORA2AKMT2ARPS6KA3MAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3904352-A1 | SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2021-11-03 | — | — | EP | disclosed |