Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 6/20 | 1.00 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29286772 | 0.83 | BCHE (1.00) | BCHESIGMAR1CHRM2HTR1AADRA2A | |
| SCHEMBL29286762 | 0.83 | BCHE (1.00) | BCHESIGMAR1CHRM2HTR1AADRA2A | |
| SCHEMBL11932503 | 0.78 | BCHE (0.64) | BCHESIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29286768 | 0.75 | BCHE (0.63) | BCHESIGMAR1CA12CA1CA2 | |
| SCHEMBL3972862 | 0.75 | BCHE (0.60) | BCHESIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29764499 | 0.74 | BCHE (0.59) | BCHESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6675829 | 0.74 | BCHE (0.59) | BCHESLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10039139 | 0.74 | CALM1 (0.62) | BCHESIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23374539 | 0.73 | PYCR1 (0.59) | BCHESIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20021997 | 0.73 | BCHE (0.83) | BCHESIGMAR1SLC6A2SLC6A4DRD3 |
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-113292523-A | Selective butyrylcholine esterase inhibitor or medicinal salt thereof, and preparation method and application thereof | 中国药科大学 | 2021-08-24 | — | — | CN | disclosed |