Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL19659319 | 0.90 | CYP1A2 (0.33) | CYP1A2GRM5BACE1 | |
| SCHEMBL18372957 | 0.84 | HRH3 (0.36) | CYP1A2GRM5 | |
| SCHEMBL18367406 | 0.81 | GRM5 (0.30) | GRM5 | |
| SCHEMBL18372796 | 0.81 | CYP1A2 (0.36) | CYP1A2GRM5 | |
| Hydrochloric Acid SCHEMBL19641525 | 0.80 | GRM5 (0.30) | GRM5 | |
| SCHEMBL22888113 | 0.79 | NOS3 (0.34) | CYP1A2GRM5 | |
| SCHEMBL22888120 | 0.79 | CYP1A2 (0.35) | CYP1A2GRM5 | |
| SCHEMBL19658914 | 0.78 | GRM5 (0.34) | CYP1A2GRM5 | |
| SCHEMBL19659226 | 0.76 | CYP1A2 (0.36) | CYP1A2GRM5 | |
| SCHEMBL22888444 | 0.75 | RIPK1 (0.35) | CYP1A2GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3760625-A1 | BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES | F. Hoffmann-La Roche AG (CH) | 2021-01-06 | — | — | EP | disclosed |