Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL23974453 | 0.81 | CCR4 (0.34) | NOS1NOS2ADORA2AIRAK4 | |
| SCHEMBL9974287 | 0.79 | KCNH2 (0.47) | KCNH2NOS1NOS2ADORA2A | |
| SCHEMBL10202966 | 0.79 | SMN1; SMN2 (0.42) | KCNH2NOS1NOS2IRAK4NUDT1 | |
| SCHEMBL18857423 | 0.79 | KCNH2 (0.31) | KCNH2NOS1NOS2 | |
| SCHEMBL22481184 | 0.78 | ADRB1 (0.38) | CYP1A2KCNH2NOS1NOS2ADORA2A | |
| SCHEMBL9232330 | 0.78 | KCNH2 (0.37) | CYP1A2KCNH2NOS1NOS2ADORA2A | |
| SCHEMBL12120627 | 0.78 | SYK (0.40) | KCNH2NOS1NOS2ADORA2A | |
| SCHEMBL27800481 | 0.78 | KCNH2 (0.37) | KCNH2NOS1NOS2ADORA2ANPSR1 | |
| SCHEMBL28256130 | 0.77 | ADORA2A (0.34) | KCNH2NOS1NOS2ADORA2A | |
| SCHEMBL8250521 | 0.76 | KCNH2 (0.58) | KCNH2NOS1NOS2ADORA2A |
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-2018098207-A1 | HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |