Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | KCNN2 | Q9H2S1 | 3/20 | 0.44 |
| ▸ | KCNN3 | Q9UGI6 | 3/20 | 0.44 |
| ▸ | BRD4 | O60885 | 2/20 | 0.44 |
| ▸ | KCNN1 | Q92952 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 2/20 | 0.44 |
| ▸ | DRD5 | P21918 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9797273 | 0.92 | CYP3A4 (0.57) | CYP3A4CYP2D6MAOAMAOBSLC6A4 | |
| Hydrochloric Acid SCHEMBL9797260 | 0.91 | CYP3A4 (0.56) | CYP3A4CYP2D6MAOAMAOBSLC6A4 | |
| Fumaric Acid SCHEMBL9806127 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2D6MEN1KMT2ADPP4 | |
| Maleic Acid SCHEMBL9806125 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2D6MEN1KMT2ADPP4 | |
| SCHEMBL9797324 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2D6CA1CA2CA9 | |
| SCHEMBL9797712 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2D6CA1CA2CA9 | |
| SCHEMBL9797470 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2D6MEN1KMT2ACA1 | |
| SCHEMBL9797731 | 0.88 | CYP3A4 (0.67) | CYP3A4CYP2D6DPP4MAOAMAOB | |
| SCHEMBL9797438 | 0.85 | CYP3A4 (0.51) | CYP3A4CYP2D6MEN1KMT2AMAOA | |
| SCHEMBL10416119 | 0.85 | CYP3A4 (0.51) | CYP3A4CYP2D6MEN1KMT2ACA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4935418-A | Medical compositions of 1-aryloxy-2,3,4,5-tetrahydro-3-benzazepines and use thereof | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-06-19 | — | — | US | claimed |
| US-4794181-A | ANTIDEPRESSANTS, ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1988-12-27 | — | — | US | claimed |