Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL30320160 | 1.00 | CYP2D6 (0.32) | CYP2D6HRH1 | |
| SCHEMBL24618583 | 1.00 | CYP2D6 (0.32) | CYP2D6HRH1 | |
| SCHEMBL10834770 | 0.78 | CYP2D6 (0.38) | CYP2D6HRH1 | |
| SCHEMBL295055 | 0.72 | NOS1 (0.39) | CYP2D6HRH1 | |
| SCHEMBL30480965 | 0.72 | NOS1 (0.39) | CYP2D6HRH1 | |
| SCHEMBL5302424 | 0.71 | CYP2D6 (0.35) | CYP2D6HRH1 | |
| SCHEMBL24618582 | 0.71 | HRH4 (0.36) | CYP2D6HRH1 | |
| SCHEMBL29792040 | 0.71 | HRH4 (0.36) | CYP2D6HRH1 | |
| SCHEMBL511339 | 0.69 | NOS2 (0.43) | CYP2D6HRH1 | |
| SCHEMBL9771908 | 0.68 | HRH1 (0.51) | CYP2D6HRH1 |
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-115867553-A | Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists | 巴格沃克斯研究有限公司 | 2023-03-28 | — | — | CN | disclosed |