Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.48 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.48 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870860 | 0.85 | KCNH2 (0.48) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9872217 | 0.84 | KCNH2 (0.48) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9372685 | 0.82 | CYP3A4 (0.67) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9871112 | 0.80 | CYP3A4 (0.48) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9871826 | 0.80 | CYP3A4 (0.48) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9872448 | 0.79 | KCNH2 (0.50) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9872735 | 0.78 | CYP19A1 (0.41) | CYP3A4CYP1A2CYP19A1NQO2KDM4E | |
| SCHEMBL9870498 | 0.76 | KCNH2 (0.50) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9872914 | 0.75 | CYP3A4 (0.44) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9871585 | 0.74 | KCNH2 (0.55) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E |
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-5030646-A | Treatment of diseases resulting from disfunction of seretoninergic system | ADIR ET COMPAGNIE (FR) | 1991-07-09 | — | — | US | disclosed |