Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | NPY2R | P49146 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11169440 | 0.87 | KDM4E (0.32) | CYP3A4CYP2D6DRD1DRD5KDM4E | |
| SCHEMBL10700513 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP2D6ALDH1A1HTTDRD1 | |
| Fumaric Acid SCHEMBL11169294 | 0.77 | MEN1 (0.43) | CYP3A4CYP2D6MAPTGAAALDH1A1 | |
| Fumaric Acid SCHEMBL11169280 | 0.77 | MEN1 (0.43) | CYP3A4CYP2D6MAPTGAAALDH1A1 | |
| SCHEMBL10702749 | 0.75 | DRD1 (0.41) | CYP3A4CYP2D6MAPTMEN1KMT2A | |
| SCHEMBL11160967 | 0.74 | DRD1 (0.47) | CYP3A4CYP2D6DRD1DRD5POLB | |
| SCHEMBL11171000 | 0.70 | DRD1 (0.38) | CYP3A4CYP2D6MAPTGAAALDH1A1 | |
| SCHEMBL11160646 | 0.68 | GAA (0.47) | MAPTGAAALDH1A1HTTMEN1 | |
| SCHEMBL11160737 | 0.67 | DRD1 (0.43) | MAPTDRD1DRD5KDM4ESMN1; SMN2 | |
| SCHEMBL11168165 | 0.66 | SMN1; SMN2 (0.36) | DRD1DRD5HTR1ANPC1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0080012-A1 | 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate | SMITHKLINE BECKMAN CORPORATION (US) | 1983-06-01 | — | — | EP | disclosed |
| EP-0007070-B1 | 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY | SMITHKLINE BECKMAN CORPORATION (US) | 1983-01-19 | — | — | EP | disclosed |
| US-4265890-A | ANTIPSYCHOTIC, ANTIEMETICS | SMITHKLINE CORPORATION (US) | 1981-05-05 | — | — | US | disclosed |
| EP-0007070-A1 | 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity | SMITHKLINE BECKMAN CORPORATION (US) | 1980-01-23 | — | — | EP | disclosed |