Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29036806 | 0.95 | SIGMAR1 (0.49) | NOS3NOS1NOS2SIGMAR1HRH3 | |
| SCHEMBL29036767 | 0.91 | HRH3 (0.51) | SIGMAR1HRH3CYP1A2CYP2D6ESR1 | |
| SCHEMBL29036770 | 0.86 | CYP2D6 (0.52) | SIGMAR1HRH3CYP1A2CYP2D6ESR1 | |
| SCHEMBL29036801 | 0.84 | HRH3 (0.49) | SIGMAR1HRH3CYP1A2USP2ALDH1A1 | |
| SCHEMBL29036793 | 0.83 | AXL (0.45) | HRH3ALDH1A1ESR1ESR2MAPT | |
| SCHEMBL29036763 | 0.82 | CYP2D6 (0.51) | SIGMAR1HRH3CYP1A2CYP2D6 | |
| SCHEMBL29216736 | 0.79 | SIGMAR1 (0.44) | SIGMAR1HRH3CYP1A2CYP2D6XDH | |
| SCHEMBL29036781 | 0.76 | CYP1A2 (0.63) | SIGMAR1HRH3CYP1A2CYP2D6ESR1 | |
| SCHEMBL11149095 | 0.76 | SIGMAR1 (0.62) | SIGMAR1 | |
| SCHEMBL21327663 | 0.75 | ME2 (0.52) | CYP1A2CYP2D6ALDH1A1HPGD |
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 |