Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.70 |
| ▸ | CDK1 | P06493 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 7/20 | 0.50 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.46 |
| ▸ | CDK9 | P50750 | 2/20 | 0.46 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.46 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4672282 | 0.82 | KDR (1.00) | KDREGFRFGFR2GSK3AGSK3B | |
| SCHEMBL4670165 | 0.78 | CDK1 (1.00) | KDRCDK1MAPTKDM4EMAPK1 | |
| SCHEMBL14018400 | 0.77 | KDR (0.62) | KDRCDK1MAPTEGFRHTR3E | |
| SCHEMBL374472 | 0.77 | EGFR (0.64) | CDK1MAPTEGFRERBB3HTR3E | |
| SCHEMBL7133126 | 0.76 | CDK1 (0.63) | KDRCDK1MAPTKDM4EMAPK1 | |
| SCHEMBL14018403 | 0.76 | KDR (0.57) | KDRCDK1EGFRHTR3EHTR3B | |
| SCHEMBL30301804 | 0.74 | EGFR (0.69) | MAPTKDM4EMAPK1EGFRERBB2 | |
| SCHEMBL17845934 | 0.74 | EGFR (0.69) | MAPTKDM4EMAPK1EGFRERBB2 | |
| SCHEMBL27700553 | 0.74 | EGFR (0.51) | CDK1MAPTKDM4EMAPK1POLB | |
| SCHEMBL2329038 | 0.74 | EGFR (0.70) | CDK1MAPTKDM4EMAPK1POLB |
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 1 patent. 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 |