Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.42 |
| ▸ | EGFR | P00533 | 6/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12728844 | 0.79 | KDR (0.39) | KDRMAPK14MAP2K1 | |
| SCHEMBL1730673 | 0.75 | EGFR (0.50) | KDREGFRERBB2MAPK14 | |
| SCHEMBL5606315 | 0.74 | KDR (0.45) | KDREGFRERBB2MAPK14MAP2K1 | |
| SCHEMBL18031718 | 0.74 | AURKB (0.40) | KDREGFRMAPT | |
| SCHEMBL4046095 | 0.74 | EGFR (0.60) | KDREGFRERBB2MAPK14MAP2K1 | |
| SCHEMBL16646779 | 0.71 | KDR (0.42) | KDREGFRERBB2MAPK14 | |
| SCHEMBL16646780 | 0.70 | KDR (0.41) | KDREGFRERBB2MAPK14 | |
| SCHEMBL12729492 | 0.70 | MAPK14 (0.60) | KDRMAPK14MAPK11 | |
| SCHEMBL4046229 | 0.68 | KDR (0.48) | KDREGFRERBB2MAPK14MAP2K1 | |
| SCHEMBL4101070 | 0.68 | MAP2K1 (0.44) | KDREGFRERBB2MAPK14MAP2K1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015051500-A1 | PYRROLOTRIAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USES THEREOF | 上海创诺制药有限公司 | 2015-04-16 | — | — | WO | disclosed |