Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29036764 | 0.91 | NOS3 (0.46) | HRH3CYP1A2CYP2D6ESR1ESR2 | |
| SCHEMBL29036806 | 0.89 | SIGMAR1 (0.49) | HRH3CYP1A2CYP2D6ESR1ESR2 | |
| SCHEMBL29036793 | 0.85 | AXL (0.45) | HRH3ESR1ESR2 | |
| SCHEMBL29036781 | 0.85 | CYP1A2 (0.63) | HRH3CYP1A2CYP2D6ESR1ESR2 | |
| SCHEMBL29036789 | 0.83 | HRH3 (0.47) | HRH3CYP1A2CYP2D6SIGMAR1 | |
| SCHEMBL31436872 | 0.81 | HRH3 (0.51) | HRH3CYP1A2CYP2D6SIGMAR1TMEM97 | |
| SCHEMBL10174120 | 0.80 | HRH3 (0.48) | HRH3CYP1A2CYP2D6EPHX2 | |
| SCHEMBL12074018 | 0.79 | EPHX2 (0.49) | HRH3CYP1A2CYP2D6EPHX2 | |
| SCHEMBL21327663 | 0.78 | ME2 (0.52) | CYP1A2CYP2D6 | |
| SCHEMBL29036799 | 0.77 | HTR1A (0.50) | HTR2AHTR2CHTR2B |
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 |