Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.51 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4394078 | 0.90 | CA1 (0.48) | GLO1CA1CA2CA12CA3 | |
| SCHEMBL3096814 | 0.86 | ALDH1A1 (0.58) | CELA1GLO1CA1CA2KMT2A | |
| SCHEMBL22331125 | 0.85 | HSP90AA1 (0.48) | CA1CA2CA12CA3CA4 | |
| SCHEMBL2948885 | 0.84 | ALDH1A1 (0.57) | CA1CA2CA12CA3CA4 | |
| SCHEMBL3089612 | 0.76 | ALDH1A1 (0.54) | GLO1CA1CA2KMT2AHSP90AA1 | |
| SCHEMBL3647204 | 0.71 | ALDH1A1 (0.52) | CELA1GLO1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL5270545 | 0.69 | ALDH1A1 (0.49) | KMT2AALDH1A1HSD17B10KDM4ETP53 | |
| SCHEMBL5270355 | 0.69 | KDM4E (0.65) | CA1CA2KMT2AALDH1A1HSD17B10 | |
| SCHEMBL26766967 | 0.69 | KDM4E (0.67) | KMT2AALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL2944800 | 0.68 | ALDH1A1 (0.68) | CA1CA2KMT2AALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7632855-B2 | Pyrazole compounds as HSP90 inhibitors for the treatment of cancer | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2009-12-15 | — | — | US | disclosed |
| US-7632855-B2 | Pyrazole compounds as HSP90 inhibitors for the treatment of cancer | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2009-12-15 | — | — | US | disclosed |
| US-7632855-B2 | Pyrazole compounds as HSP90 inhibitors for the treatment of cancer | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2009-12-15 | — | — | US | disclosed |
| EP-1456180-B1 | 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE | VERNALIS CAMBRIDGE LTD (GB) | 2007-10-03 | — | — | EP | disclosed |
| EP-1456180-B1 | 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE | VERNALIS CAMBRIDGE LTD (GB) | 2007-10-03 | — | — | EP | disclosed |
| US-7247734-B2 | 3,4-diarylpyrazoles and their use in the therapy of cancer | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2007-07-24 | — | — | US | disclosed |
| US-7247734-B2 | 3,4-diarylpyrazoles and their use in the therapy of cancer | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2007-07-24 | — | — | US | disclosed |
| US-20070072855-A1 | 5-(5-Chloro-2,4-dihydroxy-phenyl)-4-(4-methoxy-phenyl)-2H-pyrazole-3-carboxylic acid, for example; for treatment of diseases which are mediated by excessive or inappropriate HSP90 activity, such as cancers | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2007-03-29 | — | — | US | disclosed |
| US-20070072855-A1 | 5-(5-Chloro-2,4-dihydroxy-phenyl)-4-(4-methoxy-phenyl)-2H-pyrazole-3-carboxylic acid, for example; for treatment of diseases which are mediated by excessive or inappropriate HSP90 activity, such as cancers | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2007-03-29 | — | — | US | disclosed |
| US-20070072855-A1 | 5-(5-Chloro-2,4-dihydroxy-phenyl)-4-(4-methoxy-phenyl)-2H-pyrazole-3-carboxylic acid, for example; for treatment of diseases which are mediated by excessive or inappropriate HSP90 activity, such as cancers | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2007-03-29 | — | — | US | disclosed |
| EP-1620090-A1 | PYRAZOLE COMPOUNDS AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER | Vernalis (Cambridge) Limited (GB) | 2006-02-01 | — | — | EP | disclosed |
| US-20050222230-A1 | 3,4-diarylpyrazoles and their use in the therapy of cancer | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2005-10-06 | — | — | US | disclosed |
| WO-2004096212-A9 | PYRAZOLE COMPOUNDS AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER | VERNALIS CAMBRIDGE LTD (GB) | 2005-03-31 | — | — | WO | disclosed |
| WO-2004096212-A1 | PYRAZOLE COMPOUNDS AS HSP90 INHIBITORS FOR THE TREATMENT OF CANCER | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2004-11-11 | — | — | WO | disclosed |
| EP-1456180-A1 | 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER | Vernalis (Oxford) Ltd (GB) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003055860-A1 | 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER | VERNALIS (CAMBRIDGE) LIMITED (GB) | 2003-07-10 | — | — | 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 (2 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-20070072855-A1 | 5-(5-Chloro-2,4-dihydroxy-phenyl)-4-(4-methoxy-phenyl)-2H-pyrazole-3-carboxylic acid, for example; for treatment of diseases which are mediated by excessive or inappropriate HSP90 activity, such as cancers | HSP90AB1, HSP90AA1, NR5A2 | CELA1 3186/4885GLO1 3910/4885CA1 4186/4885 |
| US-20050222230-A1 | 3,4-diarylpyrazoles and their use in the therapy of cancer | HSP90AB1, HSP90AA1, HSP90AB2P | CELA1 2242/4885GLO1 1411/4885CA1 3753/4885 |
“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.