Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 7/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22482230 | 0.86 | ADORA1 (0.39) | ADORA1TGM2PRKCIGRAMD1ASCN9A | |
| SCHEMBL22482233 | 0.78 | ADORA1 (0.52) | ADORA1GRAMD1ASCN9AMKNK1KDM4E | |
| SCHEMBL22482028 | 0.75 | ADORA1 (0.56) | ADORA1KDM4EMAPTESR2NR1H2 | |
| SCHEMBL10413878 | 0.73 | ADORA1 (0.48) | ADORA1GRAMD1ASCN9AMKNK1KDM4E | |
| SCHEMBL22482231 | 0.69 | ADORA1 (0.45) | ADORA1MKNK1KDM4EMAPTESR2 | |
| SCHEMBL22482006 | 0.69 | RBP4 (0.41) | — | |
| SCHEMBL22481978 | 0.69 | HSP90AA1 (0.45) | MAPT | |
| SCHEMBL6424372 | 0.63 | ADORA1 (0.53) | ADORA1GRAMD1AMKNK1KDM4EMAPT | |
| SCHEMBL7989573 | 0.62 | ADORA1 (0.47) | ADORA1MKNK1KDM4EMAPTESR2 | |
| SCHEMBL10413882 | 0.62 | F12 (0.32) | ADORA1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020198583-A1 | BICYCLIC JAK INHIBITORS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2020-10-01 | — | — | WO | disclosed |