Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11248995 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2D6CHRNA4CYP1A2CYP2C9 | |
| Dimethyl Sulfoxide SCHEMBL11397613 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2D6CHRNA4CYP1A2CYP2C9 | |
| Dimethyl Sulfoxide SCHEMBL11397606 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2D6CHRNA4CYP1A2CYP2C9 | |
| SCHEMBL1226475 | 0.88 | MTNR1A (0.52) | CHRNA4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1746415 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2D6CHRNA4CYP1A2CYP2C9 | |
| SCHEMBL1746419 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2D6CHRNA4CYP1A2CYP2C9 | |
| SCHEMBL1746417 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2D6CHRNA4CYP1A2CYP2C9 | |
| SCHEMBL14288469 | 0.82 | TBXAS1 (0.51) | CYP3A4CYP2D6CHRNA4CYP1A2CYP2C9 | |
| SCHEMBL9506121 | 0.81 | TSHR (0.54) | CYP2C9HPGDSMN1; SMN2ALDH1A1MTNR1A | |
| SCHEMBL9506107 | 0.81 | TSHR (0.54) | CYP2C9HPGDSMN1; SMN2ALDH1A1MTNR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000322-B1 | COMPOUNDS HAVING AN ANTI-DEPRESSIVE OR TRANQUILIZING ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION | Astra Läkemedel Aktiebolag (SE) | 1982-05-05 | — | — | EP | disclosed |
| EP-0028682-A2 | Intermediates useful at the preparation of compounds having anti-depressive or tranquilizing activity | Astra Läkemedel Aktiebolag (SE) | 1981-05-20 | — | — | EP | disclosed |
| EP-0000322-A1 | Compounds having an anti-depressive or tranquilizing activity, pharmaceutical compositions containing them, and processes and intermediates for their preparation | Astra Läkemedel Aktiebolag (SE) | 1979-01-10 | — | — | EP | disclosed |