Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1724116 | 0.90 | GDA (0.41) | GDAPDPK1CDK2DPP4PNP | |
| SCHEMBL833645 | 0.90 | GDA (0.41) | GDAPDPK1CDK2DPP4PNP | |
| Xanthine SCHEMBL4966 | 0.82 | GDA (0.44) | GDAPDPK1CDK2DPP4PNP | |
| Xanthine SCHEMBL9443819 | 0.82 | GDA (0.44) | GDAPDPK1CDK2DPP4PNP | |
| SCHEMBL1275417 | 0.82 | PDPK1 (0.44) | GDAPDPK1CDK2DPP4PNP | |
| Xanthine SCHEMBL7044234 | 0.81 | GDA (0.42) | GDAPDPK1CDK2DPP4PNP | |
| 2,6-Diaminopurine SCHEMBL6839643 | 0.70 | PDPK1 (0.72) | GDAPDPK1CDK2DPP4MAP3K5 | |
| SCHEMBL612211 | 0.68 | GDA (0.41) | GDAPDPK1CDK2DPP4PNP | |
| SCHEMBL29421402 | 0.68 | PDPK1 (0.66) | GDAPDPK1CDK2DPP4PNP | |
| SCHEMBL1009011 | 0.68 | XDH (0.56) | GDAPDPK1CDK2DPP4XDH |
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-0586523-A4 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | UNIV YALE (US) | 1995-11-29 | — | — | EP | disclosed |
| EP-0586523-A1 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | YALE UNIVERSITY (US) | 1994-03-16 | — | — | EP | disclosed |
| WO-1992020816-A1 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | YALE UNIVERSITY (US) | 1992-11-26 | — | — | WO | disclosed |