Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA7 | P43166 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10744445 | 0.93 | CYP3A4 (0.41) | CYP3A4CYP2D6CA1CA2CA7 | |
| SCHEMBL10746813 | 0.91 | CYP3A4 (0.54) | CYP3A4CYP2D6CA1CA2CA7 | |
| SCHEMBL10345941 | 0.87 | CYP3A4 (0.42) | CYP3A4CYP2D6CA1CA2CA7 | |
| SCHEMBL10345859 | 0.82 | CYP2D6 (0.53) | CYP3A4CYP2D6CA1CA2CA7 | |
| SCHEMBL10345899 | 0.82 | CYP2D6 (0.53) | CYP3A4CYP2D6CA1CA2CA7 | |
| SCHEMBL10743718 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP2D6CA1CA2CA7 | |
| SCHEMBL10345840 | 0.78 | CYP2D6 (0.53) | CYP3A4CYP2D6CA1CA2CA7 | |
| SCHEMBL10744663 | 0.77 | ESR1 (0.49) | CYP3A4CYP2D6LMNATRPV1MEN1 | |
| SCHEMBL10350544 | 0.77 | CA7 (0.45) | CA1CA2CA7CA9CA14 | |
| SCHEMBL10748864 | 0.76 | CYP2D6 (0.74) | CYP3A4CYP2D6LMNASMN1; SMN2MEN1 |
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 |