Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 4/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.55 |
| ▸ | HTR3B | O95264 | 1/20 | 0.55 |
| ▸ | HTR5A | P47898 | 1/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7312459 | 0.86 | HTR3A (0.60) | HTR3AHTR3EHTR3BHTR5AHTR3D | |
| SCHEMBL7314437 | 0.85 | HTR3A (0.56) | HTR3AHTR3EHTR3BHTR5AHTR3D | |
| SCHEMBL7411721 | 0.84 | HTR3A (0.57) | HTR3AHTR3EHTR3BHTR5AHTR3D | |
| SCHEMBL7410969 | 0.82 | HTR3A (0.56) | HTR3AHTR3EHTR3BHTR5AHTR3D | |
| SCHEMBL7309858 | 0.80 | HTR3A (0.55) | HTR3AHTR3EHTR3BHTR5AHTR3D | |
| SCHEMBL7268990 | 0.77 | HTR3A (0.69) | HTR3A | |
| Hydrochloric Acid SCHEMBL7411836 | 0.76 | MAPK1 (0.55) | HTR3AHTR3EHTR3BHTR5AHTR3D | |
| Hydrochloric Acid SCHEMBL7276091 | 0.76 | HTR3A (0.68) | HTR3A | |
| SCHEMBL7326360 | 0.75 | HTR3A (0.61) | HTR3AHTR3EHTR3BHTR5AHTR3D | |
| SCHEMBL7330460 | 0.75 | HTR3A (0.61) | HTR3AHTR3EHTR3BHTR5AHTR3D |
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-4933445-A | Heteroazabenzobicyclic carboxamide 5-HT3 antagonists | RORER PHARMACEUTICAL CORPORATION (US) | 1990-06-12 | — | — | US | disclosed |