Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 6/20 | 0.62 |
| ▸ | RAF1 | P04049 | 4/20 | 0.62 |
| ▸ | RAD52 | P43351 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.56 |
| ▸ | SRC | P12931 | 4/20 | 0.50 |
| ▸ | PDE5A | O76074 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 4/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.46 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29556194 | 0.87 | MAP2K1 (0.78) | MAP2K1RAF1LRRK2EGFRERBB2 | |
| SCHEMBL676613 | 0.87 | MAP2K1 (0.78) | MAP2K1RAF1LRRK2EGFRERBB2 | |
| SCHEMBL6691519 | 0.86 | MAP2K1 (0.68) | MAP2K1RAF1LRRK2SRCEGFR | |
| SCHEMBL27728172 | 0.84 | EGFR (0.55) | MAP2K1RAF1SRCEGFRERBB2 | |
| Quinoline SCHEMBL28280298 | 0.83 | MAP2K1 (0.65) | MAP2K1RAF1RAD52KMT2ALRRK2 | |
| SCHEMBL868127 | 0.82 | MAP2K1 (0.60) | MAP2K1RAF1LRRK2SRCEGFR | |
| SCHEMBL6831841 | 0.81 | LRRK2 (0.56) | MAP2K1RAF1LRRK2SRCEGFR | |
| SCHEMBL6381926 | 0.79 | MAP2K1 (0.76) | MAP2K1SRCEGFRERBB2 | |
| SCHEMBL27728068 | 0.79 | EGFR (0.68) | MAP2K1RAF1LRRK2SRCEGFR | |
| SCHEMBL27459387 | 0.79 | EGFR (0.72) | MAP2K1RAF1EGFRERBB2 |
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-2004069827-A1 | QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2004-08-19 | — | — | WO | disclosed |