Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.68 |
| ▸ | BCHE | P06276 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8084153 | 0.84 | SIGMAR1 (0.59) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8100041 | 0.80 | SIGMAR1 (0.62) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8091657 | 0.79 | SIGMAR1 (0.65) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9752621 | 0.78 | SIGMAR1 (0.51) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8099621 | 0.78 | SIGMAR1 (0.51) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8084280 | 0.75 | SIGMAR1 (0.57) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7790878 | 0.75 | AOC3 (0.55) | SIGMAR1AOC3 | |
| SCHEMBL9520781 | 0.74 | SIGMAR1 (0.62) | SIGMAR1BCHECYP1A2 | |
| SCHEMBL8091056 | 0.74 | SIGMAR1 (0.58) | SIGMAR1BCHECYP1A2 | |
| SCHEMBL29286752 | 0.73 | BCHE (1.00) | SIGMAR1BCHESLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | claimed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | claimed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | claimed |