Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | AGXT | P21549 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL101734 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL3531472 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| Trifluoroacetic Acid SCHEMBL16697864 | 0.86 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| Trifluoroacetic Acid SCHEMBL16697862 | 0.86 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL10419761 | 0.84 | PTGS1 (0.59) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL10419762 | 0.84 | PTGS1 (0.59) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL102817 | 0.79 | CTBP2 (0.61) | ALDH1A1SMN1; SMN2CTBP2LMNAIDO1 | |
| SCHEMBL102818 | 0.79 | CTBP2 (0.61) | ALDH1A1SMN1; SMN2CTBP2LMNAIDO1 | |
| SCHEMBL13865666 | 0.79 | CTBP2 (0.61) | ALDH1A1SMN1; SMN2CTBP2LMNAIDO1 | |
| SCHEMBL3662312 | 0.78 | KDM4E (0.62) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2KDM4E |
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-8883826-B2 | Alkynyl derivatives as modulators of metabotropic glutamate receptors | ADDEX PHARMA SA (CH) | 2014-11-11 | — | — | US | disclosed |
| US-8674106-B2 | Alkynyl derivatives as modulators of metabotropic glutamate receptors | ADDEX PHARMA SA (CH) | 2014-03-18 | — | — | US | disclosed |
| US-20130178631-A1 | NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2013-07-11 | — | — | US | disclosed |
| EP-1963289-B1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS | GRUENENTHAL GMBH (DE) | 2013-05-15 | — | — | EP | disclosed |
| US-20120277237-A1 | NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2012-11-01 | — | — | US | disclosed |
| EP-2426115-A2 | Alkynyl derivatives as modulators of metabotropic glutamate receptors | Addex Pharma SA (CH) | 2012-03-07 | — | — | EP | disclosed |
| US-8101637-B2 | Alkynyl derivatives as modulators of metatropic glutamate receptors | ADDEX PHARMA SA (CH) | 2012-01-24 | — | — | US | disclosed |
| US-7589113-B2 | Substituted oxadiazole compounds and their use as opioid receptor ligands | GRUENENTHAL GMBH (DE) | 2009-09-15 | — | — | US | disclosed |
| US-20090124625-A1 | NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2009-05-14 | — | — | US | disclosed |
| US-20090005427-A1 | SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS | GRUENENTHAL GMBH (DE) | 2009-01-01 | — | — | US | disclosed |
| EP-1963289-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007079931-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| EP-1765795-A2 | ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Addex Pharmaceuticals SA (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005123703-A2 | ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2005-12-29 | — | — | 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 (4 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-20130178631-A1 | NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | GRM5, GRM1, GRM2 | ALDH1A1 2153/4885CYP3A4 4099/4885CYP2C19 4011/4885 |
| US-20090124625-A1 | NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS | GRM5, GRM2, GRM1 | ALDH1A1 2496/4885CYP3A4 3831/4885CYP2C19 3921/4885 |
| US-20120277237-A1 | NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | GRM5, GRM1, GRM2 | ALDH1A1 2153/4885CYP3A4 4099/4885CYP2C19 4011/4885 |
| US-20090005427-A1 | SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS | OPRM1, OPRD1, OPRK1 | ALDH1A1 947/4885CYP3A4 338/4885CYP2C19 321/4885 |
“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.