Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14382099 | 0.68 | DRD2 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL5792001 | 0.66 | HTR3A (0.38) | MAOAMAOBHTR2AHTR3A | |
| SCHEMBL3701789 | 0.62 | SLC18A3 (0.57) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL3689510 | 0.61 | SLC18A3 (0.55) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL18945784 | 0.60 | HTR3A (0.39) | HTR2AHTR3A | |
| SCHEMBL11273445 | 0.60 | CYP2D6 (0.53) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL14529644 | 0.59 | DAO (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL16446401 | 0.59 | HTR3A (0.76) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL22239493 | 0.59 | DRD2 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL10434273 | 0.57 | ALDH1A1 (0.35) | — |
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-4022764-A | 3-(Meta-oxyphenyl) hexahydroazepines | JOHN WYETH & BROTHER LIMITED (EN) | 1977-05-10 | — | — | US | disclosed |