Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.41 |
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL2981246 | 0.81 | ACHE (0.33) | CA2CA12CA9CA1 | |
| SCHEMBL12261097 | 0.76 | NEK1 (0.39) | STAT3GAA | |
| SCHEMBL7550351 | 0.75 | CA2 (0.39) | CA2CA12CA9CA1CA4 | |
| SCHEMBL3776935 | 0.75 | CA2 (0.39) | CA2CA12CA9CA1CA4 | |
| SCHEMBL1927671 | 0.75 | CA2 (0.41) | CA2CA12CA9CA1CA4 | |
| SCHEMBL2068726 | 0.73 | NPC1 (0.43) | CA2CA12CA9CA1CA6 | |
| SCHEMBL20564260 | 0.73 | PTGS2 (0.40) | CA2CA12CA9CA1CA4 | |
| SCHEMBL1927963 | 0.73 | GAA (0.41) | CA2CA12CA9CA1CA4 | |
| SCHEMBL28189833 | 0.73 | PTGS1 (0.33) | CA2CA12CA9CA1CA4 | |
| SCHEMBL4358027 | 0.73 | CA2 (0.41) | CA2CA12CA9CA1CA4 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110179777-A | Medical composition comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-105142627-B | Pharmaceutical compositions comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2019-06-21 | — | — | CN | disclosed |
| US-10245249-B2 | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| CN-108349911-A | Releasable nitric oxide production prodrugs | 浙江华海药业股份有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-105820096-B | A kind of method for preparing substitution ethyl aryl sulfone | 清华大学 | 2017-10-03 | — | — | CN | disclosed |
| US-20150366977-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. | 2015-12-24 | — | — | US | disclosed |
| EP-1745032-B1 | CXCR1 and CXCR2 chemokine antagonists | MERCK SHARP & DOHME (US) | 2013-07-31 | — | — | EP | disclosed |
| CN-1984899-B | CXCR1 and CXCR2 chemokine antagonists | SCHERING CORP | 2011-07-27 | — | — | CN | disclosed |
| CN-1918138-B | Thiadiazole compounds as CXC-and CC-chemokine receptor ligands | SCHERING CORP | 2011-05-04 | — | — | CN | disclosed |
| CN-1918156-B | Isothiazole dioxides as CXC-and CC-chemokine receptor ligands | SCHERING CORP | 2010-10-27 | — | — | CN | disclosed |
| US-7326729-B2 | CXCR1 and CXCR2 chemokine antagonists | SCHERING CORPORATION (US) | 2008-02-05 | — | — | US | disclosed |
| US-20070248594-A1 | CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS | SCHERING CORPORATION | 2007-10-25 | — | — | US | disclosed |
| CN-1984899-A | CXCR1 and CXCR2 chemokine antagonists | SCHERING CORP (US) | 2007-06-20 | — | — | CN | disclosed |
| CN-1918156-A | Isothiazole dioxides as CXC-and CC-chemokine receptor ligands | SCHERING CORP AND PHARMACOPEIA (US) | 2007-02-21 | — | — | CN | disclosed |
| CN-1918138-A | Thiadiazole compounds as CXC-and CC-chemokine receptor ligands | SCHERING CORP AND PHARMACOPEIA (US) | 2007-02-21 | — | — | CN | disclosed |
| US-20060014794-A1 | CXCR1 and CXCR2 chemokine antagonists | SCHERING CORPORATION | 2006-01-19 | — | — | 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 (4 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-10245249-B2 | Pharmaceutical compositions comprising nitroxyl donors | TNNT2, TNNI3, NQO1 | CA2 4041/4885CA12 4709/4885CA9 2604/4885 |
| US-20150366977-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | TNNT2, TNNI3, NQO1 | CA2 4041/4885CA12 4709/4885CA9 2604/4885 |
| US-20070248594-A1 | CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS | CXCR1, CXCR2, CXCR5 | CA2 2801/4885CA12 2615/4885CA9 1910/4885 |
| US-20060014794-A1 | CXCR1 and CXCR2 chemokine antagonists | CXCR1, CXCR2, CXCR5 | CA2 2801/4885CA12 2615/4885CA9 1910/4885 |
“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.