Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10663174 | 0.94 | CYP3A4 (0.49) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| SCHEMBL9675763 | 0.89 | CYP3A4 (0.51) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| Oxalic Acid SCHEMBL10659402 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| SCHEMBL10663966 | 0.83 | CYP3A4 (0.49) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| SCHEMBL3994101 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| SCHEMBL9671121 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| SCHEMBL10659409 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| Fumaric Acid SCHEMBL10664057 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| Maleic Acid SCHEMBL10664048 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E | |
| SCHEMBL9673603 | 0.74 | CYP3A4 (0.75) | CYP3A4CYP2D6KCNH2CYP1A2HTR3E |
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-4725615-A | SELECTIVE FOR \"NEURONAL\" 5-HYDROXYTRYPTAMINE RECEPTORS; NERVOUS SYSTEM DISORDERS | GLAXO GROUP LIMITED | 1988-02-16 | — | — | US | disclosed |