Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.59 |
| ▸ | CA1 | P00915 | 7/20 | 0.59 |
| ▸ | CA2 | P00918 | 7/20 | 0.59 |
| ▸ | CA9 | Q16790 | 7/20 | 0.59 |
| ▸ | CA6 | P23280 | 3/20 | 0.59 |
| ▸ | CA5A | P35218 | 3/20 | 0.59 |
| ▸ | CA7 | P43166 | 3/20 | 0.59 |
| ▸ | CA4 | P22748 | 2/20 | 0.59 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.59 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL51542 | 0.98 | CA1 (0.61) | CA12CA1CA2CA9CA6 | |
| SCHEMBL28312398 | 0.96 | CA12 (0.59) | CA12CA1CA2CA9CA6 | |
| SCHEMBL31527849 | 0.96 | CA12 (0.59) | CA12CA1CA2CA9CA6 | |
| Potassium SCHEMBL6789782 | 0.96 | CA12 (0.59) | CA12CA1CA2CA9CA6 | |
| SCHEMBL486163 | 0.78 | CCR1 (0.46) | CA12CA1CA2CA9CA6 | |
| SCHEMBL29733038 | 0.77 | CCR1 (0.50) | CA12CA1CA2CA9CA6 | |
| SCHEMBL1038893 | 0.77 | CCR1 (0.44) | CA12CA1CA2CA9CA6 | |
| SCHEMBL2633881 | 0.77 | CCR1 (0.50) | CA12CA1CA2CA9CA6 | |
| SCHEMBL22792202 | 0.75 | CCR1 (0.43) | CA12CA1CA2CA9CA6 | |
| SCHEMBL12659996 | 0.75 | KDM4E (0.44) | CA12CA1CA2CA9CA6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6720322-B2 | USE AS ENDOTHELIN RECEPTOR ANTAGONISTS. | ACTELION PHARAMCEUTICALS LTD. (CH) | 2004-04-13 | — | — | US | disclosed |
| 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 |
| US-20030087920-A1 | Butyne diol derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2003-05-08 | — | — | US | disclosed |
| EP-1244637-A1 | BUTYNE DIOL DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001081335-A1 | PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | ACTELION PHARMACEUTICALS LTD (CH) | 2001-11-01 | — | — | WO | disclosed |
| WO-2001081338-A1 | SUBSTITUTED SULFONYLAMINOPYRIMIDINES | ACTELION PHARMACEUTICALS LTD (CH) | 2001-11-01 | — | — | WO | disclosed |
| EP-1137642-A1 | BIS-SULFONAMIDES | Actelion Pharmaceuticals Ltd. (CH) | 2001-10-04 | — | — | EP | disclosed |
| WO-2001046156-A1 | BUTYNE DIOL DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2001-06-28 | — | — | WO | disclosed |
| WO-2001017976-A1 | BIS-SULFONAMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2001-03-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030087920-A1 | Butyne diol derivatives | BDKRB2, EDNRB, EDNRA | CA12 4225/4885CA1 4259/4885CA2 2432/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.