Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.54 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.54 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 2/20 | 0.43 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL258583 | 0.88 | PDPK1 (0.59) | PDPK1GDAMAP3K5KDRAURKB | |
| SCHEMBL29728815 | 0.88 | PDPK1 (0.59) | PDPK1GDAMAP3K5KDRAURKB | |
| SCHEMBL4408536 | 0.79 | PDPK1 (0.56) | PDPK1GDAMAP3K5KDRAURKB | |
| SCHEMBL5039982 | 0.73 | ADORA3 (0.56) | PDPK1GDAKDRAURKBPI4KA | |
| SCHEMBL5144928 | 0.73 | XDH (0.56) | PDPK1GDAKDRAURKBPI4KA | |
| SCHEMBL11414191 | 0.72 | PDPK1 (0.51) | PDPK1GDAMAP3K5KDRAURKB | |
| 2,6-Diaminopurine SCHEMBL29143272 | 0.72 | PDPK1 (0.92) | PDPK1GDAMAP3K5PI4KAPI4K2B | |
| SCHEMBL19780 | 0.72 | PDPK1 (0.66) | PDPK1GDAMAP3K5PI4KAPI4K2B | |
| SCHEMBL29375916 | 0.72 | PDPK1 (0.66) | PDPK1GDAMAP3K5PI4KAPI4K2B | |
| 2,6-Diaminopurine SCHEMBL24053 | 0.71 | PDPK1 (1.00) | PDPK1GDAMAP3K5PI4KAPI4K2B |
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 |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |