Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 4/20 | 1.00 |
| ▸ | AURKA | O14965 | 2/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.55 |
| ▸ | PRKACA | P17612 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | DHFR | P00374 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | CDK2 | P24941 | 3/20 | 0.53 |
| ▸ | CHUK | O15111 | 1/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.53 |
| ▸ | JAK3 | P52333 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22641600 | 0.85 | KMO (0.73) | KMOAURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL22641581 | 0.85 | KMO (0.73) | KMOAURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL22397784 | 0.85 | KMO (0.73) | KMOAURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL7544652 | 0.81 | KMO (0.69) | KMORAB9ANPC1PIK3CAPIK3CB | |
| SCHEMBL15889280 | 0.81 | KMO (0.68) | KMOAURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL15889299 | 0.81 | KMO (0.68) | KMOAURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL27796038 | 0.80 | KMO (0.67) | KMOAURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL3412705 | 0.79 | KMO (0.66) | KMOAURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL2402821 | 0.79 | KMO (0.65) | KMORAB9ANPC1PIK3CAPIK3CB | |
| SCHEMBL28320772 | 0.76 | KMO (0.61) | KMORAB9ANPC1PIK3CAPIK3CB |
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-3184527-A1 | 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL | Hydra Biosciences, Inc. (US) | 2017-06-28 | — | — | EP | disclosed |