Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.58 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7687629 | 0.86 | ADORA3 (0.75) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL8210401 | 0.81 | ADORA3 (0.49) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL7685244 | 0.80 | ADORA3 (0.67) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL6374693 | 0.80 | ADORA3 (1.00) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL19590936 | 0.76 | ALDH1A1 (1.00) | ADORA3ALDH1A1TRPV1LMNASMN1; SMN2 | |
| SCHEMBL7680777 | 0.75 | ADORA3 (1.00) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL1664685 | 0.74 | ADORA3 (0.71) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL9062922 | 0.74 | ADORA3 (0.66) | ADORA3ALDH1A1CACNA1DLMNAMAPK1 | |
| SCHEMBL7685108 | 0.73 | ADORA3 (0.74) | ADORA3ALDH1A1CACNA1DTMIGD3TRPV1 | |
| SCHEMBL24624914 | 0.72 | ALDH1A1 (0.83) | ALDH1A1MAPK1SMN1; SMN2HTTCA12 |
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-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 | claimed |
| 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 |