Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7480993 | 0.84 | SIGMAR1 (0.42) | SIGMAR1ALDH1A1CYP2D6 | |
| SCHEMBL7484214 | 0.79 | SIGMAR1 (0.42) | SIGMAR1ADRA2A | |
| SCHEMBL8019723 | 0.74 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1 | |
| SCHEMBL8019721 | 0.74 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1 | |
| SCHEMBL3976439 | 0.73 | OPRM1 (0.47) | ALDH1A1CYP2D6BCHE | |
| SCHEMBL19779330 | 0.73 | OPRM1 (0.47) | ALDH1A1CYP2D6BCHE | |
| SCHEMBL10306091 | 0.73 | OPRM1 (0.47) | ALDH1A1CYP2D6BCHE | |
| SCHEMBL28554966 | 0.73 | S1PR5 (0.45) | ALDH1A1CYP2D6MCHR1BCHEMAOB | |
| SCHEMBL19779328 | 0.73 | OPRM1 (0.47) | ALDH1A1CYP2D6BCHE | |
| SCHEMBL15416062 | 0.73 | CYP2D6 (0.44) | SIGMAR1ALDH1A1CYP2D6MCHR1BCHE |
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-1038873-B1 | Benzo(3,4)cyclobuta(1,2-c)pyrrole derivatives as inhibitors of serotonine reuptake | SERVIER LAB (FR) | 2002-05-02 | — | — | EP | disclosed |
| US-6153640-A | FOR TREATING DEPRESSION, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE OR ANXIETY | ADIR ET COMPAGNIE (FR) | 2000-11-28 | — | — | US | disclosed |
| EP-1038873-A2 | Benzo(3,4)cyclobuta(1,2-c)pyrrole derivatives as inhibitors of serotonine reuptake | ADIR ET COMPAGNIE (FR) | 2000-09-27 | — | — | EP | disclosed |