Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL404075 | 0.81 | PKM (0.52) | TDP1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL5532405 | 0.79 | ALDH1A1 (0.54) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9301820 | 0.78 | SLC6A3 (0.50) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL7566122 | 0.78 | NPC1 (0.61) | ALDH1A1MAPTLMNAHPGDHSD17B10 | |
| SCHEMBL30079151 | 0.77 | CA1 (0.57) | TDP1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL9355817 | 0.77 | GABRP (0.48) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL10600277 | 0.76 | TSHR (0.53) | TDP1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL29575047 | 0.76 | TDP1 (0.61) | TDP1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL400608 | 0.75 | NTRK1 (0.52) | KDM4EALDH1A1HPGDHSD17B10DHODH | |
| SCHEMBL30775057 | 0.74 | NPSR1 (0.47) | TDP1KDM4EALDH1A1MAPTMEN1 |
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 7 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 |
| CN-101056628-B | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC | 2011-05-25 | — | — | CN | disclosed |
| CN-101056628-A | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC (JP) | 2007-10-17 | — | — | CN | 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 | TDP1 582/4885KDM4E 2908/4885ALDH1A1 421/4885 |
“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.