Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HRH1 | P35367 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23374742 | 0.85 | CYP2D6 (0.46) | CYP2D6ALDH1A1CYP2C19HSD17B10MEN1 | |
| SCHEMBL13061198 | 0.79 | SMN1; SMN2 (0.48) | CYP2D6ALDH1A1CYP2C19KCNN4HTR2A | |
| SCHEMBL12566248 | 0.79 | KDM4E (0.47) | CYP2D6ALDH1A1CYP2C19HSD17B10MEN1 | |
| SCHEMBL8084282 | 0.76 | TAAR1 (0.55) | AOC3TAAR1 | |
| SCHEMBL12478391 | 0.74 | SIGMAR1 (0.41) | CYP2D6ALDH1A1MEN1KMT2AKCNN4 | |
| SCHEMBL12610396 | 0.74 | CHRM2 (0.38) | CYP2D6ALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL23423652 | 0.74 | KCNN4 (0.44) | CYP2D6ALDH1A1CYP2C19HSD17B10MEN1 | |
| SCHEMBL8097390 | 0.73 | AOC3 (0.55) | AOC3OPRM1TAAR1DRD3 | |
| SCHEMBL20844607 | 0.72 | TAAR1 (0.50) | CYP2D6ALDH1A1CYP2C19HSD17B10KMT2A | |
| SCHEMBL8100038 | 0.71 | SIGMAR1 (0.58) | AOC3OPRM1TAAR1DRD3 |
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 |