Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10223315 | 0.85 | MEN1 (0.62) | KDM4ETSHRTP53MEN1KMT2A | |
| SCHEMBL18427237 | 0.83 | ALDH1A1 (0.56) | KDM4ETSHRTP53MEN1KMT2A | |
| SCHEMBL12015748 | 0.79 | ALDH1A1 (0.64) | KDM4ETSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL4698008 | 0.79 | KDM4E (0.70) | KDM4ETSHRTP53MEN1KMT2A | |
| SCHEMBL12204148 | 0.78 | KDM4E (0.58) | KDM4ETSHRTP53MEN1KMT2A | |
| SCHEMBL15459823 | 0.78 | ALDH1A1 (0.67) | KDM4ETSHRTP53MEN1KMT2A | |
| SCHEMBL14578276 | 0.78 | ALDH1A1 (0.69) | KDM4ETSHRTP53ALDH1A1HTT | |
| SCHEMBL4629303 | 0.77 | KDM4E (0.67) | KDM4ETSHRTP53MEN1KMT2A | |
| SCHEMBL3673447 | 0.77 | PTGS1 (0.63) | KDM4EKMT2AALDH1A1SMN1; SMN2PTGS1 | |
| Hydrochloric Acid SCHEMBL980503 | 0.76 | KDM4E (0.65) | KDM4ETSHRTP53MEN1KMT2A |
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 |