Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.78 |
| ▸ | DRD1 | P21728 | 14/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | THPO | P40225 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | MTOR | P42345 | 1/20 | 0.59 |
| ▸ | DRD2 | P14416 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | DRD5 | P21918 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10745747 | 0.99 | CYP2D6 (0.76) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| Trepipam SCHEMBL11704977 | 0.88 | CYP2D6 (1.00) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| Trepipam SCHEMBL29374758 | 0.88 | CYP2D6 (1.00) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| Hydrochloric Acid SCHEMBL10345632 | 0.88 | CYP2D6 (0.73) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| SCHEMBL11939886 | 0.83 | CYP2D6 (0.81) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| SCHEMBL11112777 | 0.83 | CYP2D6 (0.81) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| SCHEMBL10345387 | 0.83 | CYP2D6 (0.81) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| SCHEMBL10745139 | 0.83 | DRD1 (0.77) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| SCHEMBL10746175 | 0.82 | CYP3A4 (0.53) | CYP2D6CYP3A4DRD1HSD17B10THPO | |
| Bromide SCHEMBL10744885 | 0.82 | KDM4E (0.77) | CYP2D6CYP3A4DRD1HSD17B10THPO |
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 |
|---|---|---|---|---|---|---|---|
| EP-0244088-A2 | 1-Phenyl-3-benzazepine compounds and medicaments containing these compounds for treating gastrointestinal motility disorders | SMITHKLINE BEECHAM CORPORATION (US) | 1987-11-04 | — | — | EP | disclosed |