Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 2/20 | 0.49 |
| ▸ | NCF1 | P14598 | 2/20 | 0.49 |
| ▸ | F12 | P00748 | 1/20 | 0.49 |
| ▸ | NOS3 | P29474 | 1/20 | 0.49 |
| ▸ | NOS1 | P29475 | 1/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17370957 | 0.85 | CHAT (0.49) | PLAUNCF1F12NOS3NOS1 | |
| SCHEMBL15947640 | 0.84 | PLAU (0.54) | PLAUNCF1F12NOS3NOS1 | |
| SCHEMBL12324740 | 0.77 | PLAU (0.49) | PLAUNCF1F12NOS3NOS1 | |
| SCHEMBL17370958 | 0.77 | ALDH1A1 (0.58) | MAPTKDM4EALDH1A1CYP3A4NPC1 | |
| SCHEMBL15940603 | 0.76 | ADORA2A (0.54) | PLAUNCF1F12NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL8116929 | 0.75 | ADORA2A (0.53) | PLAUNCF1F12NOS3NOS1 | |
| SCHEMBL3790627 | 0.73 | GRM5 (0.51) | PLAUNCF1F12NOS3NOS1 | |
| SCHEMBL1922269 | 0.72 | CYP3A4 (0.76) | MAPTKDM4EALDH1A1CYP3A4NPC1 | |
| SCHEMBL2431412 | 0.71 | CYP2A6 (0.48) | PLAUNCF1F12NOS3NOS1 | |
| SCHEMBL20593925 | 0.71 | PLAU (0.41) | PLAUNCF1F12NOS3NOS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9879004-B2 | Substituted acetylene derivatives and their use as positive allosteric modulators of mGluR4 | MERCK PATENT GMBH (DE) | 2018-01-30 | — | — | US | disclosed |
| US-20150376182-A1 | Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 | MERCK PATENT GMBH (DE) | 2015-12-31 | — | — | US | disclosed |
| WO-2014121883-A1 | SUBSTITUTED ACETYLENE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 | MERCK PATENT GMBH (DE) | 2014-08-14 | — | — | 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 (1 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-20150376182-A1 | Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 | GRM4, GRIA4, GRIK4 | PLAU 4823/4885NCF1 3565/4885F12 4859/4885 |
“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.