Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.57 |
| ▸ | CCR3 | P51677 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8091980 | 0.89 | SIGMAR1 (0.70) | HRH3SIGMAR1CCR3 | |
| SCHEMBL4499239 | 0.82 | CCR3 (0.69) | SIGMAR1CCR3ACHE | |
| SCHEMBL4499901 | 0.82 | CCR3 (0.69) | SIGMAR1CCR3ACHE | |
| SCHEMBL7400077 | 0.82 | SIGMAR1 (0.72) | HRH3SIGMAR1CCR3 | |
| SCHEMBL7408920 | 0.82 | SIGMAR1 (0.72) | HRH3SIGMAR1CCR3 | |
| SCHEMBL9375727 | 0.82 | HRH3 (0.62) | HRH3SIGMAR1 | |
| SCHEMBL13978815 | 0.82 | HRH3 (0.62) | HRH3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7450136 | 0.81 | SIGMAR1 (0.70) | HRH3SIGMAR1CCR3 | |
| Hydrochloric Acid SCHEMBL7404498 | 0.81 | SIGMAR1 (0.70) | HRH3SIGMAR1CCR3 | |
| SCHEMBL12130736 | 0.80 | HRH3 (0.58) | HRH3SIGMAR1 |
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 | disclosed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | disclosed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | disclosed |