Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2404 | 0.83 | ESR2 (0.47) | ESR2ARTRPA1ALDH1A1CYP1A2 | |
| SCHEMBL1373836 | 0.82 | ALOX5AP (0.49) | ESR2ARCYP11B2TRPA1ALDH1A1 | |
| SCHEMBL22115307 | 0.76 | CYP11B2 (0.52) | ESR2ARCYP11B2TRPA1GABRG2 | |
| SCHEMBL29662920 | 0.76 | ESR2 (0.50) | ESR2ARCYP11B2TRPA1ALDH1A1 | |
| SCHEMBL6562393 | 0.76 | ESR2 (0.50) | ESR2ARCYP11B2TRPA1ALDH1A1 | |
| SCHEMBL10918503 | 0.74 | AHR (0.48) | ESR2ALDH1A1CYP1A2CYP3A4MAPK1 | |
| SCHEMBL6564002 | 0.74 | AR (0.55) | ESR2ARCYP11B2TRPA1ALDH1A1 | |
| SCHEMBL357 | 0.74 | ESR2 (0.59) | ESR2TRPA1ALDH1A1GABRG2GABRB3 | |
| SCHEMBL31772593 | 0.74 | ESR2 (0.59) | ESR2TRPA1ALDH1A1GABRG2GABRB3 | |
| SCHEMBL588692 | 0.73 | ESR2 (0.44) | ESR2TRPA1ALDH1A1CYP1A2CYP3A4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998968-B2 | Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-16 | — | — | US | disclosed |
| US-20110112120-A9 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-05-12 | — | — | US | disclosed |
| EP-2256115-A1 | Heteromonocyclic compound and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2010-12-01 | — | — | EP | disclosed |
| US-7803940-B2 | Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20100113780-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-05-06 | — | — | US | disclosed |
| US-20100105709-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-04-29 | — | — | US | disclosed |
| US-20100056526-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-03-04 | — | — | US | disclosed |
| WO-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |
| US-20090176812-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-07-09 | — | — | US | disclosed |
| EP-2074117-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| US-20080207654-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2008-08-28 | — | — | US | disclosed |
| WO-2008062905-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-29 | — | — | 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 (6 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-20110112120-A9 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | ESR2 2113/4885AR 1535/4885CYP11B2 40/4885 |
| US-20100113780-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | ESR2 2113/4885AR 1535/4885CYP11B2 40/4885 |
| US-20100056526-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | CYP11B2, CYP11B1, NR3C2 | ESR2 664/4885AR 789/4885CYP11B2 1/4885 |
| US-20080207654-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C3AR1, C1S | ESR2 2073/4885AR 1579/4885CYP11B2 42/4885 |
| US-20090176812-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | ESR2 2113/4885AR 1535/4885CYP11B2 40/4885 |
| US-20100105709-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | ESR2 2113/4885AR 1535/4885CYP11B2 40/4885 |
“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.