Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESRRA | P11474 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7293888 | 0.77 | CA12 (0.35) | CA12CA1CA2CA4CA7 | |
| SCHEMBL7303598 | 0.77 | CA12 (0.35) | CA12CA1CA2CA4CA7 | |
| SCHEMBL7296783 | 0.76 | DDB1 (0.37) | CA12CA1CA2CA4CA7 | |
| SCHEMBL627191 | 0.76 | RAB9A (0.35) | CA12CA1CA2CA4CA7 | |
| SCHEMBL7330474 | 0.74 | MAPT (0.33) | CA12CA1CA2CA4CA7 | |
| SCHEMBL7209808 | 0.74 | CA2 (0.46) | CA12CA1CA2CA4CA7 | |
| SCHEMBL8323450 | 0.73 | STK10 (0.41) | KDM4EALDH1A1GAACYP3A4TDP1 | |
| SCHEMBL7303932 | 0.73 | ALDH1A1 (0.40) | KDM4EALDH1A1GLAGAACYP3A4 | |
| SCHEMBL7297774 | 0.72 | FYN (0.39) | KDM4EALDH1A1GLACYP3A4TDP1 | |
| SCHEMBL7293097 | 0.72 | STK10 (0.40) | CYP3A4STK10SLK |
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 |