Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | MAT2A | P31153 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2192108 | 0.81 | ALDH1A1 (0.42) | NR1I3ALDH1A1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2187582 | 0.81 | ALDH1A1 (0.42) | NR1I3ALDH1A1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2172222 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C19CYP2C9KDM4E | |
| SCHEMBL31729412 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C19CYP2C9KDM4E | |
| SCHEMBL30225279 | 0.77 | ENPP3 (0.37) | ALDH1A1CYP1A2CYP3A4AHRMAPK1 | |
| SCHEMBL166004 | 0.77 | ENPP3 (0.37) | ALDH1A1CYP1A2CYP3A4AHRMAPK1 | |
| SCHEMBL161865 | 0.75 | BTK (0.48) | NR1I3ALDH1A1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL25130855 | 0.74 | CSNK2A1 (0.34) | ALDH1A1HSP90AA1KDM4ECD274PDCD1 | |
| SCHEMBL31266800 | 0.74 | KDM4E (0.49) | ALDH1A1CYP1A2AHRKDM4EMAPT | |
| SCHEMBL17873008 | 0.74 | BACE1 (0.42) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2663553-B1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS | AMBIT BIOSCIENCES CORP (US) | 2015-08-26 | — | — | EP | disclosed |
| EP-2346830-B1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME (US) | 2015-05-13 | — | — | EP | disclosed |
| EP-2346830-B1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME (US) | 2015-05-13 | — | — | EP | disclosed |
| EP-2663553-A2 | QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2013-11-20 | — | — | EP | disclosed |
| US-20130296363-A1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS | AMBIT BIOSCIENCES CORPORATION (US) | 2013-11-07 | — | — | US | disclosed |
| US-8436015-B2 | Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-8436015-B2 | Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| WO-2012030944-A2 | QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |
| EP-2346830-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck Sharp & Dohme Corp. (US) | 2011-07-27 | — | — | EP | disclosed |
| US-20110172256-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME LLC | 2011-07-14 | — | — | US | disclosed |
| US-20110172256-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME LLC | 2011-07-14 | — | — | US | disclosed |
| US-20110172256-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME LLC | 2011-07-14 | — | — | US | disclosed |
| WO-2010030722-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2010-03-18 | — | — | WO | disclosed |
| WO-2010030722-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2010-03-18 | — | — | 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-20110172256-A1 | GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | GCGR, GLP1R, GPR119 | NR1I3 699/4885ALDH1A1 4625/4885CYP1A2 1996/4885 |
| US-20130296363-A1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS | JAK3, JAK2, JAK1 | NR1I3 1688/4885ALDH1A1 4518/4885CYP1A2 1736/4885 |
“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.