Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 8/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.51 |
| ▸ | TNNI3K | Q59H18 | 5/20 | 0.51 |
| ▸ | PLK4 | O00444 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.51 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | FYN | P06241 | 1/20 | 0.51 |
| ▸ | LYN | P07948 | 1/20 | 0.51 |
| ▸ | RET | P07949 | 1/20 | 0.51 |
| ▸ | ROS1 | P08922 | 1/20 | 0.51 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.51 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.51 |
| ▸ | TYK2 | P29597 | 1/20 | 0.51 |
| ▸ | AXL | P30530 | 1/20 | 0.51 |
| ▸ | FRK | P42685 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9098846 | 0.92 | KDR (0.49) | KDRMAPK14TNNI3KPLK4AURKA | |
| SCHEMBL4466760 | 0.88 | KDR (0.70) | KDRMAPK14TNNI3KPLK4AURKA | |
| SCHEMBL9099762 | 0.88 | KDR (0.42) | KDRMAPK14TNNI3KPLK4AURKA | |
| SCHEMBL9101755 | 0.84 | RET (0.55) | KDRMAPK14TNNI3KPLK4AURKA | |
| SCHEMBL9105151 | 0.84 | RAF1 (0.50) | KDRMAPK14TNNI3KPLK4AURKA | |
| SCHEMBL9104786 | 0.84 | RAF1 (0.49) | KDRMAPK14TNNI3KPLK4AURKA | |
| SCHEMBL4466890 | 0.84 | KDR (0.61) | KDRMAPK14TNNI3KPLK4AURKA | |
| SCHEMBL9100015 | 0.84 | KDR (0.38) | KDRMAPK14TNNI3KPLK4AURKA | |
| SCHEMBL9102011 | 0.83 | KDR (0.49) | KDRHIPK4RAF1BRAFCDK8 | |
| SCHEMBL9100020 | 0.83 | RAF1 (0.55) | KDRMAPK14TNNI3KPLK4AURKA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685125-B1 | Pyrrole derivatives useful for the treatment of proliferative diseases | MERCK PATENT GMBH (DE) | 2012-06-06 | — | — | EP | disclosed |
| EP-1685125-A1 | PYRROL DERIVATIVES | MERCK PATENT GmbH (DE) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005049603-A1 | PYRROL DERIVATIVES | MERCK PATENT GMBH (DE) | 2005-06-02 | — | — | WO | disclosed |