Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 6/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | CHRNA7 | P36544 | 10/20 | 0.62 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.62 |
| ▸ | HTR3B | O95264 | 4/20 | 0.62 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.62 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.59 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6655021 | 1.00 | HTR3A (0.62) | HTR3AKCNH2CHRNA7HTR3EHTR3B | |
| SCHEMBL6632761 | 0.92 | HTR3A (0.62) | HTR3AKCNH2CHRNA7HTR3EHTR3B | |
| SCHEMBL5917828 | 0.86 | CHRNA7 (0.67) | HTR3ACHRNA7HTR3EHTR3BHTR3D | |
| SCHEMBL6656161 | 0.86 | CHRNA7 (0.67) | HTR3ACHRNA7HTR3EHTR3BHTR3D | |
| SCHEMBL6389995 | 0.81 | CHRNA7 (0.63) | HTR3AKCNH2CHRNA7HTR3EHTR3B | |
| SCHEMBL6389988 | 0.81 | CHRNA7 (0.63) | HTR3AKCNH2CHRNA7HTR3EHTR3B | |
| Fumaric Acid SCHEMBL6838869 | 0.81 | CHRNA7 (0.60) | HTR3ACHRNA7HTR3EHTR3BHTR3D | |
| SCHEMBL6843567 | 0.81 | CHRNA7 (0.57) | HTR3ACHRNA7HTR3EHTR3BHTR3D | |
| SCHEMBL6388998 | 0.81 | CHRNA7 (0.66) | HTR3ACHRNA7HTR3EHTR3BHTR3D | |
| SCHEMBL6631572 | 0.79 | CHRNA7 (0.48) | HTR3AKCNH2CHRNA7 |
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-1404674-A2 | QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | PHARMACIA & UPJOHN COMPANY (US) | 2004-04-07 | — | — | EP | claimed |
| WO-2002100858-A2 | QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | PHARMACIA & UPJOHN COMPANY (US) | 2002-12-19 | — | — | WO | claimed |