Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7497538 | 1.00 | CHRNA7 (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9640284 | 0.67 | CHRM2 (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL27917124 | 0.67 | CHRM2 (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL374008 | 0.66 | LMNA (0.47) | KMT2A | |
| SCHEMBL1094753 | 0.66 | POLB (0.40) | CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL29516310 | 0.66 | HTR3E (0.56) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29737241 | 0.64 | HTR3E (0.56) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Benzoyl Tropine SCHEMBL221830 | 0.64 | HTR3E (1.00) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Benzoyl Tropine SCHEMBL30954638 | 0.64 | HTR3E (1.00) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| Benzoyl Tropine SCHEMBL1103723 | 0.64 | HTR3E (1.00) | CHRNA7HTR3EHTR3BHTR3AHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| US-6482831-B1 | Covalently coupled benzoylecgonine, egconine and ecgonidine derivatives | ENTROPIN, INC. | 2002-11-19 | — | — | US | disclosed |