Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.52 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | RXRB | P28702 | 1/20 | 0.49 |
| ▸ | SORT1 | Q99523 | 8/20 | 0.48 |
| ▸ | DHODH | Q02127 | 3/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL398066 | 0.84 | NTRK1 (0.52) | NTRK1NTRK2SORT1DHODHPTPN1 | |
| SCHEMBL5532405 | 0.80 | ALDH1A1 (0.54) | NTRK1DHODHKDM4EALDH1A1HSD17B10 | |
| SCHEMBL6491306 | 0.79 | PTPN1 (0.46) | NTRK1RXRARXRBSORT1DHODH | |
| SCHEMBL9355817 | 0.78 | GABRP (0.48) | SORT1KDM4EALDH1A1 | |
| SCHEMBL1550372 | 0.76 | SMN1; SMN2 (0.69) | RXRARXRBSORT1CYP2C8KDM4E | |
| SCHEMBL7822583 | 0.76 | MAPK1 (0.46) | RXRARXRBDHODHCYP2C8KDM4E | |
| SCHEMBL4597570 | 0.76 | KIF11 (0.42) | NTRK1NTRK2PTPN1KDM4E | |
| SCHEMBL2555332 | 0.75 | MGLL (0.43) | NTRK1NTRK2DHODHPTPN1KDM4E | |
| SCHEMBL402418 | 0.75 | TDP1 (0.46) | DHODHPTPN1KDM4EALDH1A1HPGD | |
| SCHEMBL4197626 | 0.74 | TDP1 (0.61) | DHODHKDM4EALDH1A1 |
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 6 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 |
| 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 | NTRK1 3420/4885NTRK2 2775/4885RXRA 2068/4885 |
“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.