Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 4/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.33 |
| ▸ | MASP2 | O00187 | 1/20 | 0.33 |
| ▸ | CBFB | Q13951 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19087099 | 0.73 | CYP2A6 (0.51) | CYP2A6CBFBCCR1CCR8 | |
| SCHEMBL30855633 | 0.72 | CCR1 (0.50) | CYP2A6NOS3NOS2JAK2MASP2 | |
| SCHEMBL24427822 | 0.72 | NOS3 (0.42) | CYP2A6NOS3NOS2HRH1HRH4 | |
| SCHEMBL23956584 | 0.72 | CYP2A6 (0.50) | CYP2A6NOS3NOS2HRH1HRH4 | |
| SCHEMBL24427844 | 0.71 | CYP2A6 (0.42) | CYP2A6JAK2HRH1HRH4BAZ2B | |
| SCHEMBL20834890 | 0.70 | NPC1 (0.50) | — | |
| SCHEMBL20834685 | 0.70 | RAB9A (0.50) | — | |
| SCHEMBL24427364 | 0.70 | CYP2A6 (0.36) | CYP2A6NOS3NOS2JAK2HRH1 | |
| SCHEMBL24427823 | 0.70 | PIM2 (0.39) | CYP2A6NOS3NOS2HRH1HRH4 | |
| SCHEMBL1073895 | 0.70 | ASIC3 (0.68) | ASIC3NOS3NOS2IDH1PDPK1 |
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 2 patents. 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 |
| EP-2203435-B1 | 6, 11-BRIDGED BIARYL MACROLIDES | ENANTA PHARM INC (US) | 2018-07-18 | — | — | EP | disclosed |