Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL980244 | 0.88 | MAOA (0.40) | KIF11METEPHX2MAPK14ALDH1A1 | |
| SCHEMBL979241 | 0.88 | MET (0.40) | KIF11METEPHX2MAPK14ALDH1A1 | |
| SCHEMBL5046800 | 0.75 | MET (0.49) | KIF11METEPHX2MAPK14HDAC6 | |
| SCHEMBL982312 | 0.72 | MAOB (0.39) | KIF11METKMT2AALDH1A1 | |
| SCHEMBL980138 | 0.72 | HCRTR1 (0.35) | KIF11METALDH1A1 | |
| SCHEMBL980074 | 0.70 | MET (0.44) | METKMT2AALDH1A1 | |
| SCHEMBL980246 | 0.65 | KIF11 (0.34) | KIF11ALDH1A1 | |
| SCHEMBL17004383 | 0.65 | MET (0.49) | KIF11METKMT2APOLBALDH1A1 | |
| SCHEMBL12922939 | 0.63 | MET (0.72) | METEPHX2 | |
| SCHEMBL5050458 | 0.63 | MET (0.46) | METEPHX2MAPK14HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7875644-B2 | tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas | MERCK PATENT GMBH (DE) | 2011-01-25 | — | — | US | claimed |