Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28978976 | 1.00 | CHRM5 (0.41) | CHRM5PTPN1CMA1SRD5A1GSK3A | |
| SCHEMBL28978974 | 0.91 | PTPN1 (0.41) | CHRM5PTPN1CMA1SRD5A1GSK3A | |
| SCHEMBL30293241 | 0.91 | PTPN1 (0.41) | CHRM5PTPN1CMA1SRD5A1GSK3A | |
| SCHEMBL31398281 | 0.86 | POLB (0.45) | CHRM5CMA1GSK3AGSK3B | |
| SCHEMBL14941450 | 0.84 | L3MBTL1 (0.50) | CMA1GSK3AGSK3B | |
| SCHEMBL30100736 | 0.84 | L3MBTL1 (0.50) | CMA1GSK3AGSK3B | |
| SCHEMBL2675704 | 0.79 | ACHE (0.45) | CHRM5 | |
| SCHEMBL28979244 | 0.79 | SRD5A1 (0.49) | PTPN1CMA1SRD5A1GSK3AGSK3B | |
| SCHEMBL31398270 | 0.77 | MAPT (0.43) | CMA1GSK3AGSK3B | |
| SCHEMBL31430258 | 0.74 | CHRM5 (0.51) | CHRM5CMA1GSK3AGSK3B |
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-109988093-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-04-07 | — | — | CN | disclosed |