Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 2/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | PNP | P00491 | 1/20 | 0.39 |
| ▸ | MGMT | P16455 | 4/20 | 0.37 |
| ▸ | CDK2 | P24941 | 5/20 | 0.36 |
| ▸ | CDK1 | P06493 | 4/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2698567 | 0.83 | PDPK1 (0.56) | PDPK1GDAKDRAURKBDPP4 | |
| SCHEMBL27586020 | 0.83 | PDPK1 (0.56) | PDPK1GDAKDRAURKBDPP4 | |
| Triphosphate SCHEMBL1074476 | 0.80 | PDPK1 (0.66) | PDPK1GDAKDRAURKBDPP4 | |
| Sulfuric Acid SCHEMBL31515565 | 0.78 | PDPK1 (0.50) | PDPK1GDAKDRAURKBDPP4 | |
| Triphosphate SCHEMBL30196670 | 0.78 | PDPK1 (0.46) | PDPK1GDAKDRAURKBDPP4 | |
| Adenine SCHEMBL27565227 | 0.76 | PI4KA (0.61) | PDPK1GDAKDRAURKBDPP4 | |
| 2,6-Diaminopurine SCHEMBL13857840 | 0.75 | PDPK1 (0.79) | PDPK1GDADPP4PI4KAPI4K2B | |
| Adenine SCHEMBL1035725 | 0.75 | PI4KA (0.69) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| Triphosphate SCHEMBL27978070 | 0.73 | ADORA3 (0.51) | PDPK1GDAKDRAURKBLMNA | |
| Triphosphate SCHEMBL502620 | 0.72 | PI4KA (0.65) | PDPK1GDAPI4KAPI4K2BPI4K2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003068167-A2 | NOVEL TREATMENT FOR PATHOLOGIES ASSOCIATED WITH OXIDATIVE DAMAGE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2003-08-21 | — | — | WO | disclosed |
| US-20020156585-A1 | Crystallization and structure determination of Staphylococcus aureus UDP-N-acetylenolpyruvylglucosamine reductase (S. aureus MurB) | PHARMACIA & UPJOHN COMPANY | 2002-10-24 | — | — | US | disclosed |
| WO-2001011054-A9 | CRYSTALLIZATION AND STRUCTURE DETERMINATION OF STAPHYLOCOCCUS AUREUS UDP-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE (S. AUREUS MurB) | UPJOHN CO (US) | 2002-09-26 | — | — | WO | disclosed |
| EP-1200599-A1 | CRYSTALLIZATION AND STRUCTURE DETERMINATION OF STPHYLOCOCCUS AUREUS UDP-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE (S. AUREUS MurB) | PHARMACIA & UPJOHN COMPANY (US) | 2002-05-02 | — | — | EP | disclosed |
| US-6356845-B1 | Crystallization and structure determination of Staphylococcus aureus UDP-N-acetylenolpyruvylglucosamine reductase (S. aureus MurB) | PHARMACIA & UPJOHN COMPANY | 2002-03-12 | — | — | US | disclosed |
| WO-2001011054-A1 | CRYSTALLIZATION AND STRUCTURE DETERMINATION OF STAPHYLOCOCCUS AUREUS UDP-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE (S. AUREUS MurB) | PHARMACIA & UPJOHN COMPANY (US) | 2001-02-15 | — | — | WO | disclosed |