Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKACA | P17612 | 5/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.44 |
| ▸ | AHCY | P23526 | 2/20 | 0.44 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8472359 | 0.69 | NT5E (0.48) | ADORA3ADORA2AADORA2BAHCYHSP90B1 | |
| SCHEMBL29360147 | 0.67 | PRKACA (1.00) | PRKACAADORA3ADORA2AHSP90B1 | |
| SCHEMBL1094627 | 0.65 | ADORA3 (0.61) | PRKACAADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL14075800 | 0.65 | EHMT1 (0.66) | ADORA3ADORA2AADORA2BHSP90B1HSP90AA1 | |
| SCHEMBL14088990 | 0.65 | EHMT1 (0.66) | ADORA3ADORA2AADORA2BHSP90B1HSP90AA1 | |
| SCHEMBL25046600 | 0.65 | DOT1L (0.62) | ADORA3ADORA2AADORA2BAHCYHSP90B1 | |
| SCHEMBL5481897 | 0.65 | AHCY (0.57) | ADORA3ADORA2AADORA2BAHCYHSP90B1 | |
| SCHEMBL8982622 | 0.65 | ADORA3 (0.67) | PRKACAADORA3ADORA2AADORA2BAHCY | |
| SCHEMBL31618014 | 0.65 | DOT1L (0.62) | ADORA3ADORA2AADORA2BAHCYHSP90B1 | |
| SCHEMBL313550 | 0.65 | AHCY (0.60) | ADORA3ADORA2AADORA2BAHCYHSP90B1 |
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 1 patent. 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 |