Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17295079 | 1.00 | SETD7 (0.44) | SETD7ALDH1A1HPGDSMN1; SMN2MAPK1 | |
| SCHEMBL17295288 | 0.83 | SETD7 (0.43) | SETD7ALDH1A1HPGDSMN1; SMN2MAPK1 | |
| SCHEMBL17290925 | 0.82 | ALDH1A1 (0.42) | SETD7ALDH1A1HPGDSMN1; SMN2MAPK1 | |
| SCHEMBL17295295 | 0.82 | ALDH1A1 (0.42) | SETD7ALDH1A1HPGDSMN1; SMN2MAPK1 | |
| SCHEMBL17290421 | 0.79 | SETD7 (0.42) | SETD7ALDH1A1HPGDSMN1; SMN2MAPK1 | |
| SCHEMBL19387238 | 0.70 | CA1 (0.70) | SETD7ALDH1A1KDM4ECA1CA2 | |
| Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 | 0.70 | CA1 (0.70) | SETD7ALDH1A1KDM4ECA1CA2 | |
| Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 | 0.68 | CA1 (0.67) | SETD7ALDH1A1KDM4ECA1CA2 | |
| SCHEMBL28993944 | 0.68 | CA1 (0.80) | ALDH1A1HPGDMAPK1KDM4ECA1 | |
| SCHEMBL23600 | 0.68 | CA1 (0.80) | ALDH1A1HPGDMAPK1KDM4ECA1 |
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-9682938-B2 | Pyrazolone derivatives as nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| EP-3148972-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | Cardioxyl Pharmaceuticals Inc. (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015183839-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2015-12-03 | — | — | WO | disclosed |
| US-20150344437-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | THE JOHNS HOPKINS UNIVERSITY | 2015-12-03 | — | — | US | 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-20150344437-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | TNNI3, PFKP, NOX5 | SETD7 3862/4885ALDH1A1 1883/4885HPGD 19/4885 |
“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.