Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.42 |
| ▸ | NOS2 | P35228 | 4/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | GABRE | P78334 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.36 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.36 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24427823 | 0.83 | PIM2 (0.39) | NOS3NOS2NOS1CYP2A6HRH1 | |
| SCHEMBL24427364 | 0.80 | CYP2A6 (0.36) | NOS3NOS2NOS1CYP2A6HRH1 | |
| SCHEMBL24726298 | 0.79 | NOS3 (0.30) | NOS3NOS2NOS1 | |
| SCHEMBL20390886 | 0.72 | CYP2A6 (0.44) | NOS3NOS2NOS1CYP2A6HRH1 | |
| SCHEMBL24427839 | 0.71 | CYP2A6 (0.54) | NOS3NOS2CYP2A6HRH1HRH4 | |
| SCHEMBL24427569 | 0.71 | IDO1 (0.49) | CYP2A6MASP2 | |
| SCHEMBL24427806 | 0.71 | CYP2A6 (0.39) | CYP2A6HRH1HRH4BAZ2B | |
| SCHEMBL24427559 | 0.70 | NOS3 (0.48) | NOS3NOS2NOS1CYP2A6GABRP | |
| SCHEMBL24427824 | 0.70 | CYP2A6 (0.41) | NOS3NOS2NOS1CYP2A6HRH1 | |
| SCHEMBL16835898 | 0.69 | NOS3 (0.47) | NOS3NOS2NOS1GABRPGABRD |
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 |