Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | CHKA | P35790 | 3/20 | 0.49 |
| ▸ | NMT1 | P30419 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720580 | 0.91 | MC4R (0.62) | MC4RCHKASIGMAR1FAAHHRH3 | |
| SCHEMBL21495134 | 0.86 | MC4R (0.71) | MC4RCHRM3KDRCHKANMT1 | |
| SCHEMBL12725365 | 0.83 | PRMT6 (0.61) | MC4RCHRM3KDRCHKANMT1 | |
| SCHEMBL24061116 | 0.83 | MC4R (0.57) | MC4RCHRM3KDRCHKANMT1 | |
| SCHEMBL24061112 | 0.82 | NMT1 (0.57) | MC4RCHRM3KDRCHKANMT1 | |
| SCHEMBL13535291 | 0.82 | MC4R (0.74) | MC4RCHKASIGMAR1HRH3 | |
| SCHEMBL3146310 | 0.81 | MC4R (0.54) | MC4RCHRM3KDRCHKANMT1 | |
| SCHEMBL26378165 | 0.79 | MC4R (0.53) | MC4RCHRM3KDRCHKANMT1 | |
| SCHEMBL3133589 | 0.78 | MC4R (0.51) | MC4RCHRM3KDRCHKANMT1 | |
| SCHEMBL12725366 | 0.78 | DRD2 (0.55) | MC4RCHRM3KDRCHKADRD4 |
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-3915990-A1 | 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER | Centre National de la Recherche Scientifique (FR) | 2021-12-01 | — | — | EP | disclosed |