Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447118 | 1.00 | ADORA2A (0.49) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL2955853 | 0.92 | ADORA2A (0.60) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL2952060 | 0.92 | ADORA2A (0.60) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7542777 | 0.83 | ADORA2A (0.55) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7542787 | 0.83 | ADORA2A (0.55) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7543447 | 0.82 | ADORA2A (0.61) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7543438 | 0.82 | ADORA2A (0.61) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7722469 | 0.81 | ADORA2A (0.76) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7722473 | 0.81 | ADORA2A (0.76) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7730161 | 0.79 | — | — |
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-5861405-A | A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONIST AS ANTIDEPRESSANTS AND CNS STIMULANTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-01-19 | — | — | US | disclosed |
| WO-1994025462-A1 | 8-SUBSTITUTED 1,3,7-TRIALKYL-XANTHINE DERIVATIVES AS A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) | 1994-11-10 | — | — | WO | disclosed |