Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31466461 | 0.83 | — | — | |
| Bromide SCHEMBL21715256 | 0.76 | HRH3 (0.38) | HRH3NOS3NOS1NOS2 | |
| SCHEMBL1473652 | 0.76 | ALDH1A1 (0.43) | HRH3NOS3NOS1NOS2 | |
| SCHEMBL21236897 | 0.74 | NOS3 (0.37) | HRH3NOS3NOS1NOS2 | |
| SCHEMBL1710042 | 0.74 | KDM4E (0.37) | HRH3NOS3NOS1NOS2 | |
| SCHEMBL19932127 | 0.74 | NOS3 (0.37) | HRH3NOS3NOS1NOS2 | |
| SCHEMBL23864905 | 0.74 | NOS3 (0.31) | HRH3NOS3NOS1NOS2 | |
| SCHEMBL18091474 | 0.74 | HRH3 (0.44) | HRH3NOS3NOS1NOS2 | |
| Bromide SCHEMBL20551357 | 0.72 | HRH3 (0.42) | HRH3NOS3NOS1NOS2 | |
| SCHEMBL3422699 | 0.70 | CYP2D6 (0.50) | — |
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-2022216945-A1 | MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-10-13 | — | — | WO | disclosed |