Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | POLA1 | P09884 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL128203 | 0.78 | — | — | |
| SCHEMBL4091375 | 0.76 | — | — | |
| SCHEMBL129431 | 0.76 | F7 (0.43) | TSHRCES2F7F3CES1 | |
| SCHEMBL27322155 | 0.75 | — | — | |
| SCHEMBL125167 | 0.75 | — | — | |
| SCHEMBL3330873 | 0.74 | TRPA1 (0.52) | CES2F7F3CES1POLB | |
| SCHEMBL13061577 | 0.73 | EP300 (0.42) | TSHRCES2F7F3CES1 | |
| SCHEMBL788432 | 0.73 | CES2 (0.52) | TSHRCES2F7F3CES1 | |
| SCHEMBL572485 | 0.73 | CES2 (0.52) | TSHRCES2F7F3CES1 | |
| SCHEMBL7180871 | 0.73 | CES2 (0.52) | TSHRCES2F7F3CES1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060084590-A1 | Methods of and compounds for modulating the activity of bacterial FabG | SMITHKLINE BEECHAM CORPORATION | 2006-04-20 | — | — | US | claimed |
| US-20050026187-A1 | Methods of and compounds for modulating the activity of bacterial FabG | SMITHKLINE BEECHAM CORPORATION | 2005-02-03 | — | — | US | claimed |
| CN-103074308-B | Enzyme of Cordyceps hirsutella sinensis for synthesis of 3-hydroxybutyrate, and gene and application thereof | UNIV ZHEJIANG TECHNOLOGY | 2014-06-11 | — | — | CN | disclosed |
| CN-103074308-B | Enzyme of Cordyceps hirsutella sinensis for synthesis of 3-hydroxybutyrate, and gene and application thereof | UNIV ZHEJIANG TECHNOLOGY | 2014-06-11 | — | — | CN | disclosed |
| WO-2013130481-A1 | RECOMBINANT HOST CELLS AND PROCESSES FOR PRODUCING 1,3-BUTADIENE THROUGH A CROTONOL INTERMEDIATE | CODEXIS, INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| CN-103074308-A | Enzyme of Cordyceps hirsutella sinensis for synthesis of 3-hydroxybutyrate, and gene and application thereof | UNIV ZHEJIANG TECHNOLOGY | 2013-05-01 | — | — | CN | disclosed |
| CN-103074308-A | Enzyme of Cordyceps hirsutella sinensis for synthesis of 3-hydroxybutyrate, and gene and application thereof | UNIV ZHEJIANG TECHNOLOGY | 2013-05-01 | — | — | CN | disclosed |
| US-20080161247-A1 | Synergistic composition for modulating activity of substrate analogs for NAD+, NADP+, NADH or NADPH dependent enzymes and process thereof | NATIONAL INSTITUTE OF IMMUNOLOGY AND INDIAN INSTITUTE OF SCIENCE | 2008-07-03 | — | — | US | disclosed |
| EP-1938841-A2 | Synergistic composition for modulating activity of substrate analogs for NAD+, NADP+, NADH+ or NADPH dependent enzymes and process thereof | National Institute of Immunology (IN) | 2008-07-02 | — | — | EP | disclosed |
| US-20060084590-A1 | Methods of and compounds for modulating the activity of bacterial FabG | SMITHKLINE BEECHAM CORPORATION | 2006-04-20 | — | — | US | disclosed |
| US-6881553-B2 | Antimicrobial activity of gemfibrozil and related compounds and derivatives and metabolites thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2005-04-19 | — | — | US | disclosed |
| US-20050026187-A1 | Methods of and compounds for modulating the activity of bacterial FabG | SMITHKLINE BEECHAM CORPORATION | 2005-02-03 | — | — | US | disclosed |
| US-20030191146-A1 | Novel antimicrobial activity of gemfibrozil and related compounds and derivatives and metabolites thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2003-10-09 | — | — | US | disclosed |
| US-6531291-B1 | Which inhibit enoyl reductase; drug screening | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2003-03-11 | — | — | 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 (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-20080161247-A1 | Synergistic composition for modulating activity of substrate analogs for NAD+, NADP+, NADH or NADPH dependent enzymes and process thereof | NQO1, NADK, TECR | TSHR 2794/4885CES2 2568/4885F7 4574/4885 |
| US-20030191146-A1 | Novel antimicrobial activity of gemfibrozil and related compounds and derivatives and metabolites thereof | CBR1, CBR3, GCDH | TSHR 889/4885CES2 89/4885F7 2248/4885 |
“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.