Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | EDNRA | P25101 | 7/20 | 0.47 |
| ▸ | EDNRB | P24530 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7841623 | 0.92 | KMT2A (0.44) | KMT2AEDNRAMEN1POLBMAPT | |
| SCHEMBL8152135 | 0.83 | KMT2A (0.57) | KMT2AEDNRAMEN1POLBMAPT | |
| SCHEMBL8627693 | 0.78 | EDNRA (0.52) | EDNRAEDNRB | |
| SCHEMBL7839729 | 0.77 | TP53 (0.44) | KMT2AMEN1POLBMAPTCYP3A4 | |
| SCHEMBL7845530 | 0.77 | KMT2A (0.43) | KMT2AEDNRAEDNRBMEN1POLB | |
| SCHEMBL7844615 | 0.77 | TP53 (0.46) | KMT2AMEN1POLBMAPTCYP3A4 | |
| SCHEMBL7841290 | 0.76 | RAB9A (0.46) | KMT2APOLBMAPTCYP3A4CYP2D6 | |
| SCHEMBL7840839 | 0.75 | MAOB (0.52) | KMT2AEDNRAMAPTTSHRALDH1A1 | |
| SCHEMBL7831716 | 0.74 | RAB9A (0.44) | KMT2AMEN1POLBMAPTCYP3A4 | |
| SCHEMBL7839027 | 0.74 | KDM4E (0.49) | POLBMAPTCYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882030-B1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GMBH (DE) | 2001-09-12 | — | — | EP | disclosed |
| US-6017939-A | 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect | MERCK PATENT GESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |