Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL4051420 | 0.84 | CCR1 (0.40) | KCNH2NOS1NOS2ADORA2ACHRNA7 | |
| SCHEMBL9974287 | 0.82 | KCNH2 (0.47) | KCNH2NOS1NOS2ADORA2A | |
| SCHEMBL27778293 | 0.81 | ADORA2A (0.36) | KCNH2NOS1NOS2ADORA2ANPSR1 | |
| SCHEMBL12120627 | 0.81 | SYK (0.40) | KCNH2NOS1NOS2ADORA2A | |
| SCHEMBL9232330 | 0.81 | KCNH2 (0.37) | KCNH2NOS1NOS2ADORA2ANPSR1 | |
| SCHEMBL8250521 | 0.79 | KCNH2 (0.58) | KCNH2NOS1NOS2ADORA2A | |
| SCHEMBL20207664 | 0.78 | CYP1A2 (0.36) | KCNH2NOS1NOS2ADORA2ANPSR1 | |
| SCHEMBL1581851 | 0.78 | KCNH2 (0.36) | KCNH2NOS1NOS2ADORA2ACHRNA7 | |
| SCHEMBL27265753 | 0.78 | SMN1; SMN2 (0.45) | KCNH2NOS1NOS2NPSR1TDP1 | |
| SCHEMBL31481285 | 0.78 | KCNH2 (0.36) | KCNH2NOS1NOS2ADORA2ACHRNA7 |
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-101691370-A | Triazolo[4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists | VERNALIS RES LTD | 2010-04-07 | — | — | CN | disclosed |