Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31035602 | 0.79 | APP (0.31) | — | |
| SCHEMBL31035649 | 0.75 | NOS3 (0.31) | NOS3NOS1NOS2 | |
| SCHEMBL22652316 | 0.71 | MET (0.39) | — | |
| SCHEMBL31035837 | 0.70 | — | — | |
| SCHEMBL31035786 | 0.68 | — | — | |
| SCHEMBL798477 | 0.68 | MCHR1 (0.35) | NOS3NOS1NOS2 | |
| SCHEMBL31035796 | 0.65 | NPC1 (0.50) | — | |
| SCHEMBL27419537 | 0.65 | NOS3 (0.32) | NOS3NOS1NOS2 | |
| SCHEMBL31361318 | 0.64 | HRH4 (0.39) | — | |
| SCHEMBL3523864 | 0.64 | DRD2 (0.44) | NOS3NOS1NOS2 |
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-118434744-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-08-02 | — | — | CN | disclosed |