Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7303565 | 1.00 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7306573 | 0.90 | KDM4E (0.47) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7306578 | 0.90 | KDM4E (0.47) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7282144 | 0.88 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7282156 | 0.88 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7312614 | 0.86 | KDM4E (0.50) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7312605 | 0.86 | KDM4E (0.50) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7305762 | 0.85 | KDM4E (0.50) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7305751 | 0.85 | KDM4E (0.50) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7311838 | 0.84 | ADORA2A (0.54) | ADORA2BADORA1 |
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 6 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 |
| 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 |
| EP-0590919-A1 | Therapeutic agents for parkinson's disease | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-04-06 | — | — | EP | disclosed |