Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21574822 | 0.90 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KCNH2ALOX5 | |
| SCHEMBL20120353 | 0.82 | CA1 (0.47) | AGXTALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL3268152 | 0.81 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2CA1CA2CA9 | |
| SCHEMBL21574804 | 0.78 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2KCNH2 | |
| SCHEMBL25042284 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8233351 | 0.76 | AGXT (0.54) | AGXTALDH1A1SMN1; SMN2KCNH2CA1 | |
| SCHEMBL9617939 | 0.75 | AGXT (0.64) | AGXTSMN1; SMN2KCNH2CA1CA2 | |
| SCHEMBL3161372 | 0.75 | AGXT (0.64) | AGXTSMN1; SMN2KCNH2CA1CA2 | |
| SCHEMBL13232449 | 0.75 | AGXT (0.48) | AGXTALDH1A1KCNH2CA1CA2 | |
| SCHEMBL11871688 | 0.75 | AGXT (0.48) | AGXTKCNH2CA1CA2CA9 |
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 4 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-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-2001046156-A1 | BUTYNE DIOL DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2001-06-28 | — | — | 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 | AGXT 3212/4885ALDH1A1 691/4885SMN1; SMN2 4796/4885 |
“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.