Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.54 |
| ▸ | CA1 | P00915 | 6/20 | 0.54 |
| ▸ | CA2 | P00918 | 6/20 | 0.54 |
| ▸ | CA7 | P43166 | 6/20 | 0.54 |
| ▸ | CA9 | Q16790 | 6/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL399550 | 0.88 | KDM4E (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL399551 | 0.85 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL401407 | 0.84 | ESR1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL869061 | 0.84 | ESR1 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15044101 | 0.80 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2308812 | 0.79 | HSD17B2 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16850624 | 0.79 | KDM4E (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16175866 | 0.79 | KDM4E (0.68) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL3716520 | 0.78 | KDM4E (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL403798 | 0.77 | CA1 (0.68) | CA12CA1CA2CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101774-B2 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2012-01-24 | — | — | US | disclosed |
| US-8101774-B2 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2012-01-24 | — | — | US | disclosed |
| US-8101774-B2 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2012-01-24 | — | — | US | disclosed |
| EP-1803452-A1 | ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF | Japan Tobacco, Inc. (JP) | 2007-07-04 | — | — | EP | disclosed |
| US-20060089392-A1 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2006-04-27 | — | — | 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-20060089392-A1 | Ester derivatives and medicinal use thereof | MTTP, CETP, LIPA | CA12 4553/4885CA1 4454/4885CA2 3876/4885 |
“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.