Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.48 |
| ▸ | HTR2A | P28223 | 5/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.48 |
| ▸ | HTR2B | P41595 | 4/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15196695 | 1.00 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRCYP2C19KCNA5 | |
| SCHEMBL6580086 | 1.00 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRCYP2C19KCNA5 | |
| SCHEMBL12568682 | 1.00 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRCYP2C19KCNA5 | |
| SCHEMBL21758873 | 0.84 | CYP2D6 (0.54) | CYP3A4TSHRCYP2C19KCNA5GRIN2B | |
| SCHEMBL6577097 | 0.84 | GRIN2B (0.54) | CYP3A4TSHRCYP2C19KCNA5GRIN2B | |
| SCHEMBL597166 | 0.84 | CYP2D6 (0.54) | CYP3A4TSHRCYP2C19KCNA5GRIN2B | |
| SCHEMBL523547 | 0.84 | CYP2D6 (0.54) | CYP3A4TSHRCYP2C19KCNA5GRIN2B | |
| SCHEMBL21093474 | 0.84 | CYP2D6 (0.54) | CYP3A4TSHRCYP2C19KCNA5GRIN2B | |
| SCHEMBL21093518 | 0.84 | GRIN2B (0.54) | CYP3A4TSHRCYP2C19KCNA5GRIN2B | |
| SCHEMBL2712368 | 0.84 | CYP2D6 (0.54) | CYP3A4TSHRCYP2C19KCNA5GRIN2B |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3056487-B1 | SYNTHESIS OF ENONE INTERMEDIATE | HARVARD COLLEGE (US) | 2018-02-21 | — | — | EP | disclosed |
| EP-3056487-B1 | SYNTHESIS OF ENONE INTERMEDIATE | HARVARD COLLEGE (US) | 2018-02-21 | — | — | EP | disclosed |
| EP-2550285-B1 | TRIOXACARCINS AND USES THEREOF | HARVARD COLLEGE (US) | 2017-07-19 | — | — | EP | disclosed |
| US-9611287-B2 | Trioxacarcins and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-04-04 | — | — | US | disclosed |
| US-9611287-B2 | Trioxacarcins and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-04-04 | — | — | US | disclosed |
| US-20160355537-A1 | TRIOXACARCINS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-12-08 | — | — | US | disclosed |
| US-20160355537-A1 | TRIOXACARCINS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-12-08 | — | — | US | disclosed |
| EP-3056487-A1 | SYNTHESIS OF ENONE INTERMEDIATE | President and Fellows of Harvard College (US) | 2016-08-17 | — | — | EP | disclosed |
| EP-3056487-A1 | SYNTHESIS OF ENONE INTERMEDIATE | President and Fellows of Harvard College (US) | 2016-08-17 | — | — | EP | disclosed |
| EP-2487160-B1 | Synthesis of Enone Intermediate | HARVARD COLLEGE (US) | 2016-02-03 | — | — | EP | disclosed |
| US-20110009639-A1 | SYNTHESIS OF ENONE INTERMEDIATE | MYERS ANDREW G | 2011-01-13 | — | — | US | disclosed |
| US-20110009639-A1 | SYNTHESIS OF ENONE INTERMEDIATE | MYERS ANDREW G | 2011-01-13 | — | — | US | disclosed |
| US-20110009639-A1 | SYNTHESIS OF ENONE INTERMEDIATE | MYERS ANDREW G | 2011-01-13 | — | — | US | disclosed |
| US-7763735-B2 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-07-27 | — | — | US | disclosed |
| US-7763735-B2 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-07-27 | — | — | US | disclosed |
| US-7763735-B2 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-07-27 | — | — | US | disclosed |
| US-20090093640-A1 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-04-09 | — | — | US | disclosed |
| US-20090093640-A1 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-04-09 | — | — | US | disclosed |
| US-20090093640-A1 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-04-09 | — | — | US | disclosed |
| WO-2008127361-A2 | SYNTHESIS OF ENONE INTERMEDIATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2008-10-23 | — | — | 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 (3 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-20160355537-A1 | TRIOXACARCINS AND USES THEREOF | PCSK9, PCSK7, PCSK6 | CYP3A4 272/4885ALDH1A1 2895/4885TSHR 1167/4885 |
| US-20110009639-A1 | SYNTHESIS OF ENONE INTERMEDIATE | TECR, ECI1, ERAL1 | CYP3A4 359/4885ALDH1A1 3547/4885TSHR 1429/4885 |
| US-20090093640-A1 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | TECR, TSN, TARS2 | CYP3A4 552/4885ALDH1A1 4307/4885TSHR 1065/4885 |
“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.