Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | LYN | P07948 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | CSK | P41240 | 1/20 | 0.50 |
| ▸ | BTK | Q06187 | 1/20 | 0.50 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304617 | 1.00 | KDM4E (0.52) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7313427 | 0.91 | KDM4E (0.47) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7313438 | 0.91 | KDM4E (0.47) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7314357 | 0.87 | KMT2A (0.45) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7314369 | 0.87 | KMT2A (0.45) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL7304080 | 0.86 | SIRT1 (0.48) | — | |
| SCHEMBL7304074 | 0.86 | SIRT1 (0.48) | — | |
| SCHEMBL7307276 | 0.85 | — | — | |
| SCHEMBL7301077 | 0.85 | — | — | |
| SCHEMBL7301088 | 0.85 | — | — |
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 7 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-0590919-B1 | Therapeutic agents for parkinson's disease | KYOWA HAKKO KOGYO KK (JP) | 1999-12-29 | — | — | 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 |