Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.59 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL8374179 | 1.00 | ADORA1 (0.59) | ADORA1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL7305180 | 0.90 | ADORA2B (0.58) | ADORA1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL7396871 | 0.80 | KDM4E (0.62) | ADORA2AADORA2BKDM4EMEN1ALDH1A1 | |
| SCHEMBL8374178 | 0.80 | KDM4E (0.59) | ADORA1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL7313810 | 0.77 | ADORA2B (0.57) | ADORA1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL7313807 | 0.77 | ADORA2B (0.57) | ADORA1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL8372565 | 0.77 | ADORA2A (0.59) | ADORA2AADORA2B | |
| SCHEMBL8372569 | 0.77 | ADORA2A (0.59) | ADORA2AADORA2B | |
| SCHEMBL6046607 | 0.76 | ADORA2A (0.55) | ADORA1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL5759762 | 0.76 | ADORA2A (0.55) | ADORA1ADORA2AADORA2BKDM4EMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559893-B1 | XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO KK (JP) | 1999-02-03 | — | — | EP | disclosed |
| US-5756735-A | ADENOSINE A2 RECEPTOR ANTAGONISTS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0559893-A1 | XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-09-15 | — | — | EP | disclosed |