Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 15/20 | 0.52 |
| ▸ | HTR3A | P46098 | 4/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3368081 | 0.85 | CHRNA7 (0.49) | CHRNA7HTR3ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3366037 | 0.85 | CHRNA7 (0.49) | CHRNA7HTR3ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3208409 | 0.82 | CHRNA7 (0.61) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3205878 | 0.82 | CHRNA7 (0.61) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3367985 | 0.82 | CHRNA7 (0.51) | CHRNA7HTR3ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL14343097 | 0.69 | CHRNA7 (0.72) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6633167 | 0.68 | CHRNA7 (1.00) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6635642 | 0.68 | CHRNA7 (1.00) | CHRNA7HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL15387557 | 0.68 | CHRNA7 (0.52) | CHRNA7HTR3ACHRNB2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL16612733 | 0.68 | CHRNA7 (0.70) | CHRNA7HTR3AHTR3EHTR3BHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| EP-1633752-B1 | ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2010-10-06 | — | — | EP | claimed |