Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 11/20 | 0.61 |
| ▸ | HTR3A | P46098 | 5/20 | 0.61 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.55 |
| ▸ | HTR3B | O95264 | 3/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6801889 | 0.81 | CHRNA7 (0.60) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL11896184 | 0.79 | CHRNA7 (0.64) | CHRNA7 | |
| SCHEMBL6101059 | 0.77 | CHRNA7 (0.64) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL9644729 | 0.77 | CHRNA7 (0.64) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL31214620 | 0.77 | CHRNA7 (0.64) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6097820 | 0.76 | CHRNA7 (0.60) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3203971 | 0.76 | CHRNA7 (0.69) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3196537 | 0.76 | CHRNA7 (0.69) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL1964605 | 0.76 | CHRNA7 (0.64) | CHRNA7HTR3A | |
| SCHEMBL1964567 | 0.76 | CHRNA7 (0.64) | CHRNA7HTR3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0526545-A1 | ISOQUINOLINE AMIDES AND ESTERS AS 5 HT3 RECEPTOR ANTAGONISTS | Beecham Group p.l.c. (GB) | 1993-02-10 | — | — | EP | claimed |
| WO-1991017161-A1 | ISOQUINOLINE AMIDES AND ESTERS AS 5 HT3 RECEPTOR ANTAGONISTS | BEECHAM GROUP PLC (GB) | 1991-11-14 | — | — | WO | claimed |