Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2184611 | 0.90 | SIGMAR1 (0.54) | SIGMAR1MC4RDRD3HRH3NPC1 | |
| SCHEMBL1449845 | 0.86 | MC4R (0.55) | SIGMAR1MC4RDRD3NPC1RAB9A | |
| SCHEMBL12076753 | 0.85 | SLC6A3 (0.55) | SIGMAR1HRH3LTA4H | |
| SCHEMBL9367019 | 0.84 | SIGMAR1 (0.56) | SIGMAR1CYP1A2HRH3LTA4H | |
| SCHEMBL10925676 | 0.81 | CCR3 (0.61) | SIGMAR1MC4R | |
| SCHEMBL1741859 | 0.81 | SIGMAR1 (0.56) | SIGMAR1NPC1RAB9ALTA4HKDM1A | |
| SCHEMBL10926657 | 0.81 | SIGMAR1 (0.56) | SIGMAR1LTA4HKDM1A | |
| SCHEMBL10925889 | 0.78 | SIGMAR1 (0.58) | SIGMAR1 | |
| SCHEMBL10927890 | 0.78 | SIGMAR1 (0.64) | SIGMAR1HRH3 | |
| SCHEMBL10925979 | 0.78 | ADORA3 (0.54) | SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113135922-A | Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof | 中国药科大学 | 2021-07-20 | — | — | CN | disclosed |