Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.35 |
| ▸ | TUBB | P07437 | 2/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2017807 | 0.82 | ESR1 (0.43) | ESR1ESR2CA2CA1CA4 | |
| SCHEMBL20707998 | 0.76 | HIF1A (0.45) | CA2CA1CA4CA7KDM4E | |
| SCHEMBL2002265 | 0.76 | ESR1 (0.60) | ESR1ESR2CA2CA1CA4 | |
| SCHEMBL1996385 | 0.71 | NPSR1 (0.53) | ESR1ESR2CA2CA1CA4 | |
| SCHEMBL13640332 | 0.68 | CA12 (0.59) | CA2CA1CA7L3MBTL1ALDH1A1 | |
| SCHEMBL29501039 | 0.68 | ESR1 (0.41) | ESR1ESR2CA2CA1CA4 | |
| SCHEMBL29501085 | 0.67 | ESR1 (0.40) | ESR1ESR2CA2CA1CA4 | |
| SCHEMBL1997707 | 0.67 | HTR7 (0.42) | ESR1ESR2TSHRALDH1A1TUBB4A | |
| SCHEMBL22773180 | 0.67 | P2RX3 (0.38) | L3MBTL1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL20708068 | 0.67 | HSD11B1 (0.55) | HSD11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120309734-A1 | COMBRETASTATIN DERIVATIVES AND USES THEREFOR | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) | 2012-12-06 | — | — | US | disclosed |
| EP-2513051-A1 | COMBRETASTATIN DERIVATIVES AND USES THEREFOR | The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073211-A1 | COMBRETASTATIN DERIVATIVES AND USES THEREFOR | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) | 2011-06-23 | — | — | 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 (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-20120309734-A1 | COMBRETASTATIN DERIVATIVES AND USES THEREFOR | CASP4, CA4, ACSL4 | ESR1 3303/4885ESR2 4101/4885CA2 92/4885 |
“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.