Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.38 |
| ▸ | TOP1 | P11387 | 3/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3558764 | 0.88 | ALOX5AP (0.44) | TGFBR1KIF11MAPKAPK2CCNT1CCNA2 | |
| SCHEMBL3568760 | 0.84 | NPBWR1 (0.42) | TGFBR1KIF11MAPKAPK2MCHR1CCNT1 | |
| SCHEMBL3565887 | 0.82 | S1PR1 (0.50) | TGFBR1KIF11MAPKAPK2TOP1MCHR1 | |
| SCHEMBL3565249 | 0.80 | CYP19A1 (0.47) | KIF11CCR6EGFRFGFR1KDR | |
| SCHEMBL3559906 | 0.78 | CYP11B1 (0.41) | KIF11MCHR1CHRNB1CHRNB2CHRNB4 | |
| SCHEMBL3555587 | 0.76 | NPBWR1 (0.44) | CCNT1CCNA2CDK2CDK9CHRNB1 | |
| SCHEMBL3565070 | 0.74 | TP53 (0.41) | KIF11MCHR1 | |
| SCHEMBL3566448 | 0.73 | NPBWR1 (0.44) | CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL3564571 | 0.71 | MCHR1 (0.42) | KIF11MCHR1CHRNB2 | |
| SCHEMBL4659132 | 0.70 | MCHR1 (0.36) | KIF11MCHR1CCNT1CCNA2CDK2 |
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-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | claimed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | claimed |