Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29036763 | 0.95 | CYP2D6 (0.51) | CYP2D6CYP1A2HRH3SIGMAR1HRH4 | |
| SCHEMBL29036781 | 0.90 | CYP1A2 (0.63) | CYP2D6CYP1A2HRH3ESR1SIGMAR1 | |
| SCHEMBL29036764 | 0.86 | NOS3 (0.46) | CYP2D6CYP1A2HRH3ESR1SIGMAR1 | |
| SCHEMBL29036801 | 0.85 | HRH3 (0.49) | CYP1A2HRH3KCNH2SIGMAR1 | |
| SCHEMBL29036806 | 0.82 | SIGMAR1 (0.49) | CYP2D6CYP1A2HRH3ESR1SIGMAR1 | |
| SCHEMBL15759178 | 0.81 | CYP1A2 (0.56) | CYP2D6CYP1A2HRH3KCNH2SIGMAR1 | |
| SCHEMBL29216736 | 0.81 | SIGMAR1 (0.44) | CYP2D6CYP1A2HRH3SIGMAR1 | |
| SCHEMBL1856187 | 0.80 | HRH3 (0.55) | CYP2D6CYP1A2HRH3KCNH2 | |
| SCHEMBL22239262 | 0.80 | HRH3 (0.42) | HRH3 | |
| SCHEMBL12726995 | 0.79 | HRH3 (0.51) | CYP2D6CYP1A2HRH3CTSKKCNH2 |
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-116472267-A | Butyrylcholinesterase reactivating agent | 法兰西国由中央军队卫生服务局代表 | 2023-07-21 | — | — | CN | disclosed |