Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.45 |
| ▸ | ITPR1 | Q14643 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | GBA1 | P04062 | 3/20 | 0.42 |
| ▸ | GPR3 | P46089 | 3/20 | 0.40 |
| ▸ | GPR6 | P46095 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23673776 | 0.94 | HRH3 (0.56) | HRH3HSP90AA1HSP90AB1HSP90B1HTR3A | |
| SCHEMBL30091905 | 0.94 | HRH3 (0.56) | HRH3HSP90AA1HSP90AB1HSP90B1HTR3A | |
| Ammonia Solution, Strong SCHEMBL30091877 | 0.94 | HRH3 (0.55) | HRH3HSP90AA1HSP90AB1HSP90B1HTR3A | |
| SCHEMBL30155530 | 0.82 | HRH3 (0.55) | HRH3HTR3AP2RY6ITPR1CHRM2 | |
| SCHEMBL30091902 | 0.82 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1HSP90B1HTR3ASLC5A2 | |
| SCHEMBL23673758 | 0.82 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1HSP90B1HTR3ASLC5A2 | |
| SCHEMBL23686769 | 0.79 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1HSP90B1 | |
| SCHEMBL30091884 | 0.75 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1HSP90B1HTR3ACA12 | |
| SCHEMBL28927057 | 0.75 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1HSP90B1HTR3ACA12 | |
| SCHEMBL30155680 | 0.74 | P2RY6 (0.55) | HRH3HTR3AP2RY6ITPR1CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021148786-A1 | ISOINDOLINE DERIVATIVES WHICH BIND TO AN ATP BINDING SITE | Neophore Limited (GB) | 2021-07-29 | — | — | WO | disclosed |