Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.77 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7685039 | 0.90 | ADORA3 (0.78) | ADORA3TRPV1ALDH1A1CACNA1DHTT | |
| SCHEMBL6374693 | 0.87 | ADORA3 (1.00) | ADORA3TRPV1ALDH1A1CACNA1DHTT | |
| SCHEMBL7686684 | 0.86 | ADORA3 (0.78) | ADORA3TRPV1ALDH1A1HTTGAA | |
| SCHEMBL8210401 | 0.77 | ADORA3 (0.49) | ADORA3TRPV1ALDH1A1CACNA1DHTT | |
| SCHEMBL7682462 | 0.77 | ADORA3 (0.79) | ADORA3TRPV1ALDH1A1HTTGAA | |
| SCHEMBL7689462 | 0.75 | ADORA3 (1.00) | ADORA3TRPV1ALDH1A1CACNA1DHTT | |
| SCHEMBL7689135 | 0.71 | ADORA3 (0.84) | ADORA3TRPV1ALDH1A1GAAMEN1 | |
| SCHEMBL7682982 | 0.66 | ADORA3 (1.00) | ADORA3TRPV1ALDH1A1CACNA1DHTT | |
| SCHEMBL7689604 | 0.66 | ADORA3 (0.65) | ADORA3TRPV1ALDH1A1CACNA1DHTT | |
| SCHEMBL7681139 | 0.65 | ADORA3 (1.00) | ADORA3TRPV1ALDH1A1CACNA1DHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376521-B1 | ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-04-23 | — | — | US | disclosed |
| WO-2000002861-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-20 | — | — | WO | disclosed |