Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 11/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL136854 | 1.00 | KCNH2 (0.45) | KCNH2GRM5CYP3A4CYP2C9PTGDR2 | |
| SCHEMBL133677 | 0.79 | GRM5 (0.46) | GRM5CYP3A4 | |
| SCHEMBL139928 | 0.77 | APP (0.48) | KCNH2GRM5CYP3A4CYP2C9TSHR | |
| SCHEMBL139929 | 0.77 | APP (0.48) | KCNH2GRM5CYP3A4CYP2C9TSHR | |
| SCHEMBL4562631 | 0.76 | KCNH2 (0.67) | KCNH2GRM5CYP2C9PTGDR2TSHR | |
| SCHEMBL30707869 | 0.76 | KCNH2 (0.67) | KCNH2GRM5CYP2C9PTGDR2TSHR | |
| SCHEMBL136231 | 0.76 | KCNH2 (0.49) | KCNH2GRM5CYP3A4CYP2C9PTGDR2 | |
| Charcoal, Activated SCHEMBL31286308 | 0.74 | KCNH2 (0.64) | KCNH2GRM5CYP2C9PTGDR2TSHR | |
| SCHEMBL135953 | 0.71 | KCNH2 (0.49) | KCNH2GRM5CYP2C9PTGDR2TSHR | |
| SCHEMBL135954 | 0.71 | KCNH2 (0.49) | KCNH2GRM5CYP2C9PTGDR2TSHR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107406461-B | Heterocyclic alkyne derivatives and their use as mGluR5 receptor modulators | 雷科尔达蒂爱尔兰有限公司 | 2020-03-13 | — | — | CN | disclosed |
| EP-3240792-B1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | RECORDATI IRELAND LTD (IE) | 2019-01-23 | — | — | EP | disclosed |
| US-9889121-B2 | Heterocyclylalkyne derivatives and their use as modulators of mGluR5 receptors | RECORDATI IRELAND LTD. (IE) | 2018-02-13 | — | — | US | disclosed |
| EP-3240792-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | Recordati Ireland Limited (IE) | 2017-11-08 | — | — | EP | disclosed |
| US-20170182011-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | RECORDATI IRELAND LTD (IE) | 2017-06-29 | — | — | US | disclosed |
| US-9593127-B2 | Heterocyclylalkyne derivatives and their use as modulators of mGluR5 receptors | RECORDATI IRELAND LTD. (IE) | 2017-03-14 | — | — | US | disclosed |
| WO-2016107865-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | RECORDATI IRELAND LIMITED (IE) | 2016-07-07 | — | — | WO | disclosed |
| US-20160185798-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS | RECORDATI IRELAND LTD. (IE) | 2016-06-30 | — | — | US | disclosed |
| US-8580962-B2 | Spiroheterocyclic compounds as mGlu5 antagonists | RECORDATI IRELAND LTD. (IT) | 2013-11-12 | — | — | US | disclosed |
| US-20120059015-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD. (IT) | 2012-03-08 | — | — | 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 (3 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-20170182011-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | GRM5, GRIK5, GRM1 | KCNH2 1483/4885GRM5 1/4885CYP3A4 4191/4885 |
| US-20160185798-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS | GRM5, GRIK5, GRM1 | KCNH2 1483/4885GRM5 1/4885CYP3A4 4191/4885 |
| US-20120059015-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | GRM5, GPR65, GRIK5 | KCNH2 994/4885GRM5 1/4885CYP3A4 3928/4885 |
“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.