Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 6/20 | 0.37 |
| ▸ | EGFR | P00533 | 6/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7676537 | 0.92 | KDR (0.41) | KDRTYMSEGFRERBB2ALDH1A1 | |
| SCHEMBL7676666 | 0.88 | KDR (0.40) | KDRTYMSEGFRERBB2ALDH1A1 | |
| SCHEMBL7679412 | 0.88 | KDR (0.40) | KDRTYMSEGFRERBB2ALDH1A1 | |
| SCHEMBL7678491 | 0.82 | TYMS (0.41) | KDRTYMSEGFRERBB2ALDH1A1 | |
| SCHEMBL7670923 | 0.81 | TYMS (0.40) | KDRTYMSEGFRERBB2ALDH1A1 | |
| SCHEMBL6868584 | 0.72 | TYMS (0.39) | TYMSEGFRERBB2ALDH1A1MAPT | |
| SCHEMBL6868114 | 0.71 | EGFR (0.40) | KDRTYMSEGFRERBB2ALDH1A1 | |
| SCHEMBL7677465 | 0.70 | HTT (0.41) | KDREGFRALDH1A1MAPTMEN1 | |
| SCHEMBL7672308 | 0.68 | FLT1 (0.42) | KDRALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL6866412 | 0.68 | TYMS (0.38) | TYMSEGFRERBB2ALDH1A1MAPT |
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-1086094-A1 | QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999061438-A1 | QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-12-02 | — | — | WO | disclosed |