Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.58 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HRH1 | P35367 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18471695 | 0.85 | AOC3 (0.58) | AOC3HTR2AHRH1TAAR1RIPK1 | |
| SCHEMBL14820159 | 0.83 | AOC3 (0.61) | AOC3HTR2AHRH1TAAR1TDP1 | |
| SCHEMBL8084280 | 0.81 | SIGMAR1 (0.57) | AOC3TAAR1 | |
| SCHEMBL13995351 | 0.81 | AOC3 (0.59) | AOC3HTR2AHRH1TAAR1RIPK1 | |
| SCHEMBL7790878 | 0.81 | AOC3 (0.55) | AOC3HTR2AHRH1TAAR1TDP1 | |
| SCHEMBL3068671 | 0.81 | HRH1 (0.62) | AOC3HTR2AHRH1TDP1 | |
| SCHEMBL13974808 | 0.80 | PIK3CD (0.53) | AOC3HTR2AHRH1TAAR1TDP1 | |
| SCHEMBL172250 | 0.80 | CCR5 (0.50) | AOC3HTR2AHRH1TAAR1TDP1 | |
| SCHEMBL25953921 | 0.80 | AOC3 (0.62) | AOC3HTR2AHRH1TAAR1RIPK1 | |
| SCHEMBL19278070 | 0.79 | AOC3 (0.51) | AOC3HTR2AHRH1TAAR1RIPK1 |
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 |