Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHPS | P49366 | 15/20 | 0.51 |
| ▸ | EDNRA | P25101 | 5/20 | 0.46 |
| ▸ | EDNRB | P24530 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5032809 | 0.92 | DHPS (0.49) | DHPSEDNRAEDNRB | |
| SCHEMBL7880777 | 0.89 | EDNRA (0.46) | DHPSEDNRAEDNRB | |
| SCHEMBL5041432 | 0.84 | DHPS (0.49) | DHPSEDNRAEDNRB | |
| SCHEMBL5035343 | 0.82 | DHPS (0.61) | DHPSEDNRAEDNRB | |
| Hydrochloric Acid SCHEMBL5035309 | 0.82 | DHPS (0.55) | DHPS | |
| SCHEMBL5032801 | 0.81 | EDNRA (0.47) | DHPSEDNRAEDNRB | |
| SCHEMBL5041643 | 0.78 | DHPS (0.55) | DHPS | |
| SCHEMBL5032725 | 0.78 | DHPS (0.59) | DHPS | |
| SCHEMBL5039297 | 0.77 | DHPS (0.61) | DHPS | |
| SCHEMBL2640206 | 0.76 | DHPS (0.62) | DHPSEDNRAEDNRB |
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-6242601-B1 | ENDOTHELIN RECEPTORS INHIBITORS SUCH AS 4-(4-METHOXY-5-(2-METHOXY-PHENOXY)-6-(5-METHYL-PYRIDINE-2-SULF ONYLAMINO)-PYRIMIDIN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID USED TO TREAT CARDIOVASCULAR SYSTEM DISORDERS | HOFFMAN-LA ROCHE INC. | 2001-06-05 | — | — | US | disclosed |