Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13975284 | 0.85 | TLR8 (0.50) | ALDH1A1HPGDSMN1; SMN2CA1CA2 | |
| SCHEMBL4028684 | 0.84 | CA12 (0.51) | ALDH1A1HPGDSMN1; SMN2CA1CA2 | |
| SCHEMBL31735384 | 0.82 | MEN1 (0.57) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL17290757 | 0.78 | MEN1 (0.50) | ALDH1A1HPGDSMN1; SMN2CA9MEN1 | |
| SCHEMBL17295319 | 0.78 | MEN1 (0.50) | ALDH1A1HPGDSMN1; SMN2CA9MEN1 | |
| SCHEMBL2629323 | 0.76 | JMJD6 (0.60) | ALDH1A1HPGDSMN1; SMN2CA1CA2 | |
| SCHEMBL7846262 | 0.76 | CHRNB2 (0.47) | LMNA | |
| Tert-Butyl Formate SCHEMBL28024807 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL8892611 | 0.75 | ESRRA (0.53) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL13874244 | 0.75 | JMJD6 (0.58) | ALDH1A1HPGDSMN1; SMN2CA1CA2 |
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 | ALDH1A1 1883/4885HPGD 19/4885SMN1; SMN2 1078/4885 |
“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.