Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11536910 | 0.82 | ALDH1A1 (1.00) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL26313603 | 0.81 | ALDH1A1 (0.97) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2981180 | 0.81 | ALDH1A1 (0.97) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL20722196 | 0.80 | ALDH1A1 (0.62) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL12550106 | 0.80 | ALDH1A1 (0.71) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL17295523 | 0.80 | GLA (0.50) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL17291066 | 0.80 | GLA (0.50) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL5560091 | 0.80 | LMNA (1.00) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL14837469 | 0.79 | PKM (0.64) | ALDH1A1MAPTLMNAUSP2TSHR | |
| SCHEMBL3847472 | 0.78 | ALDH1A1 (0.97) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 |
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 1883/4885NPC1 329/4885MAPT 3895/4885 |
“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.