Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 7/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | DPYD | Q12882 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1992130 | 0.74 | MAPT (0.42) | MAPTADORA2BGDAACHEALDH1A1 | |
| SCHEMBL5173509 | 0.73 | MAPT (0.44) | MAPTADORA2BGDAACHEALDH1A1 | |
| SCHEMBL561427 | 0.72 | ADORA2B (0.55) | ADORA2BALDH1A1HPGDMAPK1XDH | |
| SCHEMBL2143500 | 0.70 | MAPT (0.46) | MAPTADORA2BGDAACHEALDH1A1 | |
| SCHEMBL2837685 | 0.69 | MAPT (0.53) | MAPTADORA2BGDAACHEALDH1A1 | |
| SCHEMBL932949 | 0.69 | MAPT (0.53) | MAPTADORA2BGDAACHEALDH1A1 | |
| SCHEMBL447389 | 0.69 | MAPT (0.84) | MAPTADORA2BGDAACHEALDH1A1 | |
| SCHEMBL932609 | 0.69 | MAPT (0.53) | MAPTADORA2BGDAACHEALDH1A1 | |
| SCHEMBL740931 | 0.69 | MAPT (0.53) | MAPTADORA2BGDAACHEALDH1A1 | |
| Uric Acid SCHEMBL2786719 | 0.69 | MAPT (0.53) | MAPTADORA2BGDAACHEALDH1A1 |
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 |