Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7396869 | 1.00 | KDM4E (0.62) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL5759762 | 0.92 | ADORA2A (0.55) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6046607 | 0.92 | ADORA2A (0.55) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8371208 | 0.88 | ADORA2B (0.55) | ADORA2AADORA2B | |
| SCHEMBL8371211 | 0.88 | ADORA2B (0.55) | ADORA2AADORA2B | |
| SCHEMBL7722853 | 0.88 | — | — | |
| SCHEMBL8372576 | 0.88 | ADORA2A (0.53) | ADORA2AADORA2B | |
| SCHEMBL8372573 | 0.88 | ADORA2A (0.53) | ADORA2AADORA2B | |
| SCHEMBL7722847 | 0.88 | — | — | |
| SCHEMBL7728633 | 0.87 | ADORA2B (0.55) | ADORA2B |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628311-B1 | Xanthine-Derivatives as Antidepressants | KYOWA HAKKO KOGYO KK (JP) | 2002-04-24 | — | — | EP | disclosed |
| EP-0559893-B1 | XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO KK (JP) | 1999-02-03 | — | — | EP | disclosed |
| 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 |
| US-5756735-A | ADENOSINE A2 RECEPTOR ANTAGONISTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0565377-B1 | Therapeutic agents for use in the treatment of Parkinson's Disease | KYOWA HAKKO KOGYO KK (JP) | 1998-01-07 | — | — | EP | disclosed |
| US-5587378-A | ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| US-5543415-A | ADMINISTERING A XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-08-06 | — | — | US | disclosed |
| US-5484920-A | XANTHINE DERIVATIVES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0628311-A1 | ANTIDEPRESSANT | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-12-14 | — | — | EP | 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 |
| EP-0565377-A1 | Therapeutic agents for use in the treatment of parkinson's disease | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-10-13 | — | — | EP | disclosed |
| EP-0559893-A1 | XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-09-15 | — | — | EP | disclosed |