Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 7/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17290605 | 0.77 | BACE1 (0.45) | BACE1BACE2APPRENCTSD | |
| SCHEMBL17290592 | 0.75 | POLB (0.39) | BACE1BACE2APPRENCTSD | |
| SCHEMBL17290905 | 0.75 | BACE1 (0.42) | BACE1BACE2APPRENCTSD | |
| SCHEMBL17291054 | 0.70 | BACE1 (0.33) | BACE1BACE2APPRENCTSD | |
| SCHEMBL17291056 | 0.70 | BACE1 (0.33) | BACE1BACE2APPRENCTSD | |
| SCHEMBL16865397 | 0.69 | BACE1 (0.43) | BACE1BACE2APPRENCTSD | |
| SCHEMBL12341179 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL17290233 | 0.68 | PPARG (0.35) | ALDH1A1PKMLMNA | |
| SCHEMBL17290955 | 0.68 | LOX (0.45) | ALDH1A1POLBLOXTSHRPKM | |
| SCHEMBL17290426 | 0.66 | SMN1; SMN2 (0.52) | BACE1BACE2APPRENALDH1A1 |
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 | BACE1 2885/4885BACE2 3653/4885APP 3789/4885 |
“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.