Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 4/20 | 0.35 |
| ▸ | NOS2 | P35228 | 4/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 8/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | PIK3R2 | O00459 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24427850 | 0.73 | CYP2A6 (0.51) | CYP2A6GSK3BHRH1HRH4BAZ2B | |
| SCHEMBL24427771 | 0.72 | CYP2A6 (0.36) | CYP2A6HRH1HRH4BAZ2B | |
| SCHEMBL24427822 | 0.70 | NOS3 (0.42) | CYP2A6NOS3NOS2GSK3BHRH1 | |
| SCHEMBL24427758 | 0.69 | NPY5R (0.53) | CYP2A6 | |
| SCHEMBL24427569 | 0.69 | IDO1 (0.49) | CYP2A6 | |
| SCHEMBL24427669 | 0.67 | CYP2A6 (0.51) | CYP2A6NOS3NOS2GSK3BNOS1 | |
| SCHEMBL963430 | 0.67 | — | — | |
| SCHEMBL24427806 | 0.66 | CYP2A6 (0.39) | CYP2A6HRH1HRH4BAZ2B | |
| SCHEMBL24427567 | 0.65 | CYP2A6 (0.53) | CYP2A6GSK3BHRH1HRH4BAZ2B | |
| SCHEMBL7904690 | 0.65 | POLB (0.61) | CYP2A6PTPN11 |
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-3998263-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) | 2022-05-18 | — | — | EP | disclosed |