Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.45 |
| ▸ | CA1 | P00915 | 12/20 | 0.45 |
| ▸ | CA12 | O43570 | 10/20 | 0.45 |
| ▸ | CA7 | P43166 | 7/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.45 |
| ▸ | CA9 | Q16790 | 9/20 | 0.40 |
| ▸ | PNMT | P11086 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.36 |
| ▸ | CA6 | P23280 | 4/20 | 0.36 |
| ▸ | CA5A | P35218 | 4/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15881379 | 0.87 | CA2 (0.45) | CA2CA1CA12CA7CA14 | |
| SCHEMBL5336260 | 0.72 | CA2 (0.46) | CA2CA1CA12CA7CA14 | |
| SCHEMBL6253306 | 0.70 | AHR (0.39) | PNMTLMNAMAPT | |
| SCHEMBL12988639 | 0.70 | CA2 (0.44) | CA2CA1CA12CA7CA14 | |
| SCHEMBL3712693 | 0.69 | TDP1 (0.46) | CA2CA1CA12CA7CA14 | |
| SCHEMBL968326 | 0.68 | PKM (0.57) | CA2CA1CA12CA7CA14 | |
| SCHEMBL3700876 | 0.67 | PNMT (0.38) | CA12CA9PNMT | |
| SCHEMBL6674134 | 0.66 | CA2 (0.59) | CA2CA1CA12CA7CA14 | |
| SCHEMBL3633861 | 0.66 | CA2 (0.51) | CA2CA1CA12CA7CA14 | |
| SCHEMBL2005036 | 0.65 | CA2 (0.74) | CA2CA1CA12CA7CA9 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655350-A1 | BICYCLIC PKM2 ACTIVATORS | Agios Pharmaceuticals, Inc. (US) | 2013-10-30 | — | — | EP | claimed |
| EP-2651901-A1 | NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | Allergan, Inc. (US) | 2013-10-23 | — | — | EP | claimed |
| WO-2012088314-A1 | BICYCLIC PKM2 ACTIVATORS | AGIOS PHARMACEUTICALS, INC. (US) | 2012-06-28 | — | — | WO | claimed |
| WO-2012082633-A1 | NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-21 | — | — | WO | claimed |
| US-11304924-B2 | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2022-04-19 | — | — | US | disclosed |
| US-20210300925-A1 | 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS | INCYTE CORPORATION | 2021-09-30 | — | — | US | disclosed |
| US-20200163929-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. | 2020-05-28 | — | — | US | disclosed |
| US-10548872-B2 | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2020-02-04 | — | — | US | disclosed |
| US-20190224159-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. | 2019-07-25 | — | — | US | disclosed |
| US-10245249-B2 | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| EP-3134403-A1 | 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS | Incyte Corporation (US) | 2017-03-01 | — | — | EP | disclosed |
| US-20150366977-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. | 2015-12-24 | — | — | US | disclosed |
| WO-2015164480-A1 | 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS | INCYTE CORPORATION (US) | 2015-10-29 | — | — | WO | disclosed |
| EP-2655350-A1 | BICYCLIC PKM2 ACTIVATORS | Agios Pharmaceuticals, Inc. (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012088314-A1 | BICYCLIC PKM2 ACTIVATORS | AGIOS PHARMACEUTICALS, INC. (US) | 2012-06-28 | — | — | WO | 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 (7 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-10548872-B2 | Pharmaceutical compositions comprising nitroxyl donors | TNNT2, TNNI3, NQO1 | CA2 4041/4885CA1 4828/4885CA12 4709/4885 |
| US-10245249-B2 | Pharmaceutical compositions comprising nitroxyl donors | TNNT2, TNNI3, NQO1 | CA2 4041/4885CA1 4828/4885CA12 4709/4885 |
| US-20200163929-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | TNNT2, TNNI3, NQO1 | CA2 4041/4885CA1 4828/4885CA12 4709/4885 |
| US-20150366977-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | TNNT2, TNNI3, NQO1 | CA2 4041/4885CA1 4828/4885CA12 4709/4885 |
| US-20210300925-A1 | 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS | BRD3, BRD1, BRD2 | CA2 4825/4885CA1 4874/4885CA12 4880/4885 |
| US-11304924-B2 | Pharmaceutical compositions comprising nitroxyl donors | TNNT2, TNNI3, NQO1 | CA2 4041/4885CA1 4828/4885CA12 4709/4885 |
| US-20190224159-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | TNNT2, TNNI3, NQO1 | CA2 4041/4885CA1 4828/4885CA12 4709/4885 |
“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.