Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.55 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 2/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | PNP | P00491 | 1/20 | 0.40 |
| ▸ | MGMT | P16455 | 2/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8332120 | 0.80 | KDR (0.39) | KDRAURKBPDPK1GDA | |
| SCHEMBL4408536 | 0.78 | PDPK1 (0.56) | KDRAURKBPDPK1GDAPI4KA | |
| 2,6-Diaminopurine SCHEMBL13857840 | 0.76 | PDPK1 (0.79) | PDPK1GDADPP4PI4KAPI4K2B | |
| SCHEMBL6334784 | 0.75 | PDPK1 (0.49) | KDRAURKBPDPK1GDADPP4 | |
| SCHEMBL30416185 | 0.75 | PDPK1 (0.49) | KDRAURKBPDPK1GDADPP4 | |
| SCHEMBL27586020 | 0.75 | PDPK1 (0.56) | KDRAURKBPDPK1GDADPP4 | |
| SCHEMBL2698567 | 0.75 | PDPK1 (0.56) | KDRAURKBPDPK1GDADPP4 | |
| SCHEMBL11414191 | 0.75 | PDPK1 (0.51) | KDRAURKBPDPK1GDADPP4 | |
| SCHEMBL258583 | 0.74 | PDPK1 (0.59) | KDRAURKBPDPK1GDADPP4 | |
| SCHEMBL29728815 | 0.74 | PDPK1 (0.59) | KDRAURKBPDPK1GDADPP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998039344-A9 | NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE | — | 1999-01-21 | — | — | WO | disclosed |
| WO-1998039344-A1 | NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE | METABASIS THERAPEUTICS, INC. (US) | 1998-09-11 | — | — | WO | disclosed |