Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL113757 | 0.97 | — | — | |
| Benzene SCHEMBL27817281 | 0.97 | SMN1; SMN2 (0.53) | SMN1; SMN2MAPTHPGDMGLLHSD17B10 | |
| Hydrochloric Acid SCHEMBL27533715 | 0.93 | — | — | |
| Fluoride SCHEMBL14677416 | 0.93 | SMN1; SMN2 (0.50) | SMN1; SMN2MAPTHPGDMGLLHSD17B10 | |
| Ethane SCHEMBL11553570 | 0.90 | SMN1; SMN2 (0.47) | SMN1; SMN2MAPTHPGDMGLLHSD17B10 | |
| Phenol SCHEMBL28851578 | 0.83 | CA12 (0.58) | SMN1; SMN2MAPTHPGDMGLLHSD17B10 | |
| SCHEMBL3398395 | 0.73 | MAOA (0.50) | SMN1; SMN2MAPTHPGDMGLLHSD17B10 | |
| Diphenylsulfane SCHEMBL18043143 | 0.72 | HPGD (0.56) | SMN1; SMN2MAPTHPGDMGLLHSD17B10 | |
| SCHEMBL14629072 | 0.72 | MAPT (0.36) | SMN1; SMN2MAPTHPGDMGLLHSD17B10 | |
| SCHEMBL1534245 | 0.71 | — | — |
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 |