Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 1/20 | 0.67 |
| ▸ | CCR5 | P51681 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL981924 | 0.99 | MET (0.66) | METCCR5TSHRKDM4ESMN1; SMN2 | |
| SCHEMBL12922931 | 0.80 | MET (1.00) | METSMN1; SMN2EPHX2POLBALDH1A1 | |
| SCHEMBL1427192 | 0.76 | MET (0.65) | METTSHRKDM4EEPHX2ALDH1A1 | |
| SCHEMBL13580043 | 0.74 | MET (0.58) | METKDM4EORAI1POLBALDH1A1 | |
| SCHEMBL1427173 | 0.74 | MET (0.58) | METKDM4ENPSR1ORAI1SIGMAR1 | |
| SCHEMBL983930 | 0.74 | MET (0.58) | METNPSR1ORAI1ALDH1A1LMNA | |
| SCHEMBL5046607 | 0.73 | MET (0.68) | METTSHRKDM4ESMN1; SMN2ORAI1 | |
| Hydrochloric Acid SCHEMBL5050480 | 0.72 | MET (0.67) | METTSHRKDM4ESMN1; SMN2ORAI1 | |
| SCHEMBL5050486 | 0.71 | MET (0.51) | METNPSR1ORAI1ALDH1A1LMNA | |
| SCHEMBL981593 | 0.71 | MET (0.55) | METKDM4ESMN1; SMN2NPSR1ORAI1 |
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 | disclosed |