Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.30 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL980746 | 0.85 | KIF11 (0.42) | — | |
| SCHEMBL982312 | 0.81 | MAOB (0.39) | METCCR3KDM4EALDH1A1GAA | |
| SCHEMBL980138 | 0.80 | HCRTR1 (0.35) | METKDM4EALDH1A1HPGD | |
| SCHEMBL5050486 | 0.73 | MET (0.51) | METORAI1ALDH1A1LMNAMAPT | |
| SCHEMBL13580043 | 0.70 | MET (0.58) | METORAI1KDM4EALDH1A1LMNA | |
| SCHEMBL981265 | 0.70 | KIF11 (0.45) | METALDH1A1KMT2A | |
| SCHEMBL983930 | 0.68 | MET (0.58) | METORAI1ALDH1A1LMNAATM | |
| SCHEMBL1427173 | 0.68 | MET (0.58) | METORAI1KDM4EALDH1A1LMNA | |
| SCHEMBL982217 | 0.66 | MET (0.67) | METORAI1KDM4EALDH1A1GAA | |
| SCHEMBL1427200 | 0.66 | MET (0.53) | METORAI1ALDH1A1LMNAKMT2A |
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 |