Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 10/20 | 0.59 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 2/20 | 0.49 |
| ▸ | BCR | P11274 | 2/20 | 0.49 |
| ▸ | PRKCA | P17252 | 2/20 | 0.49 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 3/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12487318 | 0.82 | ABCG2 (0.56) | ABCG2ROCK1ABL1BCRPRKCA | |
| SCHEMBL27112560 | 0.81 | MEN1 (0.55) | ABCG2ROCK1ABCC1EGFRMEN1 | |
| SCHEMBL4736155 | 0.81 | ABL1 (0.71) | ABCG2ABL1BCRPRKCAEGFR | |
| SCHEMBL14254280 | 0.81 | EGFR (0.50) | ABCG2ROCK1EGFRMEN1MAPT | |
| SCHEMBL5468622 | 0.80 | AKR1C3 (0.64) | ABCG2AKR1C3AKR1C2PTGESALOX5 | |
| SCHEMBL12486792 | 0.79 | ABCG2 (0.50) | ABCG2ROCK1AKR1C3AKR1C2ABL1 | |
| SCHEMBL30469306 | 0.78 | MAOB (0.60) | ABCG2MEN1MAPTMAPK1HTT | |
| SCHEMBL20557970 | 0.78 | MAOB (0.60) | ABCG2MEN1MAPTMAPK1HTT | |
| SCHEMBL27940856 | 0.78 | TNNI3K (0.56) | ROCK1ABL1EGFRTNNI3KMEN1 | |
| SCHEMBL28807899 | 0.77 | EGFR (0.60) | ROCK1EGFRTNNI3K |
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 |
|---|---|---|---|---|---|---|---|
| CN-103562184-A | Pharmaceutically active disubstituted pyridine derivatives | LEAD DISCOVERY CENTER GMBH | 2014-02-05 | — | — | CN | claimed |