Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.63 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.63 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.63 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.63 |
| ▸ | HTR3B | O95264 | 1/20 | 0.63 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.63 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.63 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.63 |
| ▸ | HTR3A | P46098 | 1/20 | 0.63 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.63 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.63 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.63 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3994326 | 0.88 | KCNH2 (0.61) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL4077482 | 0.85 | CYP3A4 (0.59) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9630873 | 0.85 | KCNH2 (0.59) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| Iodide SCHEMBL7168823 | 0.84 | KCNH2 (0.58) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| Hydrochloric Acid SCHEMBL5202651 | 0.84 | CYP3A4 (0.58) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL13157508 | 0.82 | KCNH2 (0.55) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL682811 | 0.80 | CYP3A4 (0.72) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL9255883 | 0.80 | CYP3A4 (0.51) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL5234561 | 0.80 | KCNH2 (0.53) | KCNH2CYP3A4CYP1A2CYP2D6HTR3E | |
| SCHEMBL19106874 | 0.79 | KCNH2 (0.66) | 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-20170348233-A1 | NOVEL AEROSOL FORMULATIONS OF ONDANSETRON AND USES THEREOF | LUXENA PHARMACEUTICALS INC (US) | 2017-12-07 | — | — | US | disclosed |