Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10345899 | 0.85 | CYP2D6 (0.53) | CYP3A4CYP2D6ADAM17TRPV1NPC1 | |
| SCHEMBL10345840 | 0.81 | CYP2D6 (0.53) | CYP3A4CYP2D6ADAM17TRPV1NPC1 | |
| SCHEMBL10345941 | 0.81 | CYP3A4 (0.42) | CYP3A4CYP2D6ADAM17TRPV1LMNA | |
| SCHEMBL10746813 | 0.77 | CYP3A4 (0.54) | CYP3A4CYP2D6ADAM17TRPV1NPC1 | |
| SCHEMBL10345859 | 0.76 | CYP2D6 (0.53) | CYP3A4CYP2D6ADAM17TRPV1NPC1 | |
| SCHEMBL10744445 | 0.76 | CYP3A4 (0.41) | CYP3A4CYP2D6ADAM17TRPV1LMNA | |
| SCHEMBL10748134 | 0.72 | CYP3A4 (0.43) | CYP3A4CYP2D6ADAM17TRPV1LMNA | |
| SCHEMBL10743718 | 0.72 | CYP3A4 (0.53) | CYP3A4CYP2D6ADAM17TRPV1NPC1 | |
| SCHEMBL10345641 | 0.71 | CYP3A4 (0.52) | CYP3A4CYP2D6ADAM17TRPV1NPC1 | |
| SCHEMBL10796719 | 0.71 | MTNR1B (0.47) | KIF11 |
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 |