Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | NAT1 | P18440 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7209808 | 0.86 | CA2 (0.46) | ALDH1A1POLBCA2CA12CA1 | |
| SCHEMBL7293888 | 0.72 | CA12 (0.35) | ALDH1A1POLBCA2CA12CA1 | |
| SCHEMBL7303598 | 0.72 | CA12 (0.35) | ALDH1A1POLBCA2CA12CA1 | |
| SCHEMBL5257792 | 0.71 | ALDH1A1 (0.43) | SIRT2ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL7201836 | 0.71 | CA12 (0.34) | ALDH1A1POLBCA2CA12CA1 | |
| SCHEMBL627191 | 0.71 | RAB9A (0.35) | ALDH1A1POLBCA2CA12CA1 | |
| SCHEMBL7296783 | 0.71 | DDB1 (0.37) | ALDH1A1POLBCA2CA12CA1 | |
| SCHEMBL1532744 | 0.71 | L3MBTL1 (0.39) | SIRT2ALDH1A1POLBCA2CA12 | |
| SCHEMBL4062089 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CA2CA12CA1CA4 | |
| SCHEMBL7330474 | 0.69 | MAPT (0.33) | ALDH1A1POLBCA2CA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6596719-B1 | Manufacturing those compounds, pharmaceutical compositions containing one or more of those compounds as endothelin antagonists, and a method of treating a subject having a disorder involving endothelin with the compounds of the | ACTELIO PHARMACEUTICALS LTD. (CH) | 2003-07-22 | — | — | US | disclosed |
| EP-1137642-A1 | BIS-SULFONAMIDES | Actelion Pharmaceuticals Ltd. (CH) | 2001-10-04 | — | — | EP | disclosed |
| WO-2001017976-A1 | BIS-SULFONAMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2001-03-15 | — | — | WO | disclosed |