Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10345641 | 0.92 | CYP3A4 (0.52) | CYP3A4CYP2D6MTNR1BTRPV1ESR1 | |
| SCHEMBL10746813 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2D6MTNR1BTRPV1CA1 | |
| SCHEMBL10744663 | 0.88 | ESR1 (0.49) | CYP3A4CYP2D6MTNR1BTRPV1ESR1 | |
| SCHEMBL10746034 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2D6MTNR1BTRPV1ESR1 | |
| SCHEMBL10748766 | 0.85 | CYP2D6 (0.55) | CYP3A4CYP2D6MTNR1BTRPV1DRD1 | |
| SCHEMBL10748864 | 0.84 | CYP2D6 (0.74) | CYP3A4CYP2D6DRD1MAPK1THPO | |
| SCHEMBL10746175 | 0.84 | CYP3A4 (0.53) | CYP3A4CYP2D6MTNR1BTRPV1ESR1 | |
| SCHEMBL10345334 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP2D6MTNR1BTRPV1ESR1 | |
| SCHEMBL10749164 | 0.82 | CYP3A4 (0.52) | CYP3A4CYP2D6MTNR1BTRPV1ESR1 | |
| SCHEMBL10345859 | 0.80 | CYP2D6 (0.53) | CYP3A4CYP2D6TRPV1CA1CA2 |
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 |