Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 2/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | 0.91 | MAOA (0.40) | METRAB9AEPHX2KIF11CYP3A4 | |
| SCHEMBL981265 | 0.88 | KIF11 (0.45) | METEPHX2KIF11MAPK14ALDH1A1 | |
| SCHEMBL980138 | 0.85 | HCRTR1 (0.35) | METRAB9AKIF11NPC1ALDH1A1 | |
| SCHEMBL5046596 | 0.75 | MET (0.45) | METTRPM8RAB9AEPHX2GRIN2B | |
| SCHEMBL982312 | 0.75 | MAOB (0.39) | METRAB9AKIF11TDP1ALDH1A1 | |
| SCHEMBL5050458 | 0.67 | MET (0.46) | METEPHX2SRCMAPK14 | |
| SCHEMBL12922939 | 0.67 | MET (0.72) | METEPHX2 | |
| SCHEMBL980074 | 0.66 | MET (0.44) | METTDP1CYP2D6ALDH1A1 | |
| SCHEMBL17004377 | 0.65 | MET (0.44) | METRAB9ANPC1ALDH1A1 | |
| SCHEMBL17004388 | 0.65 | GRM5 (0.39) | TRPM8RAB9AALDH1A1 |
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 |