Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | GRM5 | P41594 | 5/20 | 0.50 |
| ▸ | CNR2 | P34972 | 8/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL642847 | 0.82 | ALDH1A1 (0.60) | ALDH1A1KDM4EKMT2ANPC1MAPT | |
| SCHEMBL18824558 | 0.78 | GRM5 (0.42) | ALDH1A1KDM4EGRM5CNR2EGLN1 | |
| SCHEMBL13388128 | 0.77 | GRM5 (0.49) | ALDH1A1KDM4EGRM5CNR2SMN1; SMN2 | |
| SCHEMBL256758 | 0.77 | ALDH1A1 (0.53) | ALDH1A1KDM4EKMT2ANPC1MAPT | |
| SCHEMBL13555949 | 0.76 | GRM5 (0.53) | GRM5CNR2EGLN1KMT2AMEN1 | |
| SCHEMBL24608223 | 0.75 | ALDH1A1 (0.60) | ALDH1A1KDM4EKMT2ANPC1RAB9A | |
| SCHEMBL13555929 | 0.75 | GRM5 (0.58) | GRM5CNR2CNR1 | |
| SCHEMBL467361 | 0.75 | ALDH1A1 (0.55) | ALDH1A1KDM4ENPC1MAPTRAB9A | |
| SCHEMBL13388293 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KDM4EKMT2ANPC1MAPT | |
| SCHEMBL4051309 | 0.74 | KDM4E (0.50) | ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2909179-B1 | ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY | HOFFMANN LA ROCHE (CH) | 2016-10-05 | — | — | EP | disclosed |
| EP-2909179-B1 | ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY | HOFFMANN LA ROCHE (CH) | 2016-10-05 | — | — | EP | disclosed |
| CN-104718191-B | Ethynyl derivatives serving as MGLUR5 receptor activity modulators | 霍夫曼-拉罗奇有限公司 | 2016-06-29 | — | — | CN | disclosed |
| US-9328070-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2016-05-03 | — | — | US | disclosed |
| US-9328070-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2016-05-03 | — | — | US | disclosed |
| US-9328070-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2016-05-03 | — | — | US | disclosed |
| EP-2909179-A1 | ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2015-08-26 | — | — | EP | disclosed |
| US-20150225344-A1 | Ethynyl Derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-08-13 | — | — | US | disclosed |
| US-20150225344-A1 | Ethynyl Derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-08-13 | — | — | US | disclosed |
| US-20150225344-A1 | Ethynyl Derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-08-13 | — | — | US | disclosed |
| US-8772300-B2 | Phenyl or pyridinyl-ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-8772300-B2 | Phenyl or pyridinyl-ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-8772300-B2 | Phenyl or pyridinyl-ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| WO-2014060394-A1 | ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2014-04-24 | — | — | WO | disclosed |
| WO-2014060394-A1 | ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2014-04-24 | — | — | WO | disclosed |
| EP-2699547-A1 | 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143340-A1 | 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-26 | — | — | WO | disclosed |
| US-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-25 | — | — | US | disclosed |
| US-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-25 | — | — | US | disclosed |
| US-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-25 | — | — | 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-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | GRM5, GRM1, GRM3 | ALDH1A1 2723/4885KDM4E 768/4885GRM5 1/4885 |
| US-20150225344-A1 | Ethynyl Derivatives | GRM1, GRM5, GRIA1 | ALDH1A1 1192/4885KDM4E 3969/4885GRM5 2/4885 |
“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.