Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 1.00 |
| ▸ | KDR | P35968 | 16/20 | 0.76 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.76 |
| ▸ | EGFR | P00533 | 2/20 | 0.76 |
| ▸ | GSK3A | P49840 | 2/20 | 0.76 |
| ▸ | GSK3B | P49841 | 2/20 | 0.76 |
| ▸ | INSR | P06213 | 1/20 | 0.76 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.76 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.76 |
| ▸ | FLT1 | P17948 | 1/20 | 0.76 |
| ▸ | FLT4 | P35916 | 1/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | XBP1 | P17861 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.63 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL4670503 | 0.87 | KDR (0.77) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL4670174 | 0.86 | KDR (1.00) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL4670452 | 0.84 | KDR (1.00) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL2174704 | 0.81 | EGFR (0.67) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL4670527 | 0.81 | KDR (1.00) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL4672445 | 0.81 | KDR (0.73) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL2856333 | 0.81 | KDR (1.00) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL4672229 | 0.80 | CDK1 (0.66) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL14017751 | 0.78 | KDR (0.70) | CDK1KDRFGFR2EGFRGSK3A | |
| SCHEMBL4670192 | 0.78 | KDR (0.70) | CDK1KDRFGFR2EGFRGSK3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1330452-B1 | PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES | ORTHO MCNEIL PHARM INC (US) | 2008-11-26 | — | — | EP | disclosed |
| EP-1330452-B1 | PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES | ORTHO MCNEIL PHARM INC (US) | 2008-11-26 | — | — | EP | disclosed |