Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9914822 | 0.93 | CYP2A6 (0.57) | CYP2A6ESR1ESR2ALDH1A1ALOX5 | |
| SCHEMBL28498111 | 0.91 | CYP2A6 (0.52) | CYP2A6ESR1ESR2ALDH1A1MAPK1 | |
| SCHEMBL16603673 | 0.90 | CYP2A6 (0.48) | CYP2A6ESR1ESR2ALDH1A1MAPK1 | |
| SCHEMBL10458839 | 0.90 | CYP2A6 (0.52) | CYP2A6ESR1ESR2ALDH1A1MAPK1 | |
| SCHEMBL30200392 | 0.90 | CYP2A6 (0.55) | CYP2A6ESR1ESR2ALDH1A1ALOX5 | |
| SCHEMBL1191770 | 0.90 | CYP2A6 (0.55) | CYP2A6ESR1ESR2ALDH1A1ALOX5 | |
| SCHEMBL9914792 | 0.90 | CYP2A6 (0.54) | CYP2A6ESR1ESR2ALDH1A1MAPK1 | |
| SCHEMBL21238074 | 0.90 | ESR1 (0.52) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL19720301 | 0.90 | ESR1 (0.52) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL30089377 | 0.90 | CYP2A6 (0.54) | CYP2A6ESR1ESR2ALDH1A1MAPK1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2570412-B1 | Novel nitrogen-containing heterocyclic compound and organic electronic device using the same | LG CHEMICAL LTD (KR) | 2017-01-04 | — | — | EP | disclosed |
| US-9139562-B2 | Nitrogen-containing heterocyclic compound and organic electronic device using the same | LG CHEM, LTD. (KR) | 2015-09-22 | — | — | US | disclosed |
| US-9139562-B2 | Nitrogen-containing heterocyclic compound and organic electronic device using the same | LG CHEM, LTD. (KR) | 2015-09-22 | — | — | US | disclosed |
| EP-2570412-A1 | Novel nitrogen-containing heterocyclic compound and organic electronic device using the same | LG Chem, Ltd. (KR) | 2013-03-20 | — | — | EP | disclosed |
| US-8368062-B2 | Nitrogen-containing heterocyclic compound and organic electronic device using the same | LG CHEM, LTD. (KR) | 2013-02-05 | — | — | US | disclosed |
| US-8368062-B2 | Nitrogen-containing heterocyclic compound and organic electronic device using the same | LG CHEM, LTD. (KR) | 2013-02-05 | — | — | US | disclosed |
| US-20120007069-A1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | LG CHEM, LTD. (KR) | 2012-01-12 | — | — | US | disclosed |
| US-20120007069-A1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | LG CHEM, LTD. (KR) | 2012-01-12 | — | — | US | disclosed |
| US-20110127513-A1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | LG CHEM, LTD. (KR) | 2011-06-02 | — | — | US | disclosed |
| US-20110127513-A1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | LG CHEM, LTD. (KR) | 2011-06-02 | — | — | US | disclosed |
| WO-2010062065-A2 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | 주식회사 엘지화학 (KR) | 2010-06-03 | — | — | 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 (2 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-20120007069-A1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | VDAC2, VDAC1, VDAC3 | CYP2A6 3417/4885ESR1 255/4885ESR2 1043/4885 |
| US-20110127513-A1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | VDAC2, VDAC1, VDAC3 | CYP2A6 3417/4885ESR1 255/4885ESR2 1043/4885 |
“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.