Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | MAP3K14 | Q99558 | 6/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | TEK | Q02763 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 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 | |
|---|---|---|---|---|
| SCHEMBL3900681 | 0.87 | — | — | |
| SCHEMBL10338427 | 0.85 | GRM4 (0.49) | GRM4HSP90AA1AURKAPRKACAADORA2A | |
| SCHEMBL2520704 | 0.79 | BIRC5 (0.32) | MAP3K14 | |
| SCHEMBL1642974 | 0.79 | ESR1 (0.35) | MAP3K14MAOBMEN1KMT2A | |
| SCHEMBL1644275 | 0.76 | MAPK14 (0.42) | ADORA2AKDM4EMAPTMEN1KMT2A | |
| SCHEMBL14840581 | 0.76 | MAP4K4 (0.40) | AURKAADORA2ACDK2CDC7MAP4K4 | |
| SCHEMBL13388231 | 0.74 | KMO (0.50) | KMO | |
| SCHEMBL1644268 | 0.73 | NR1H2 (0.38) | MEN1KMT2A | |
| SCHEMBL1388380 | 0.71 | DHFR (0.46) | ADORA2AMAP4K4 | |
| SCHEMBL1476650 | 0.71 | GRM5 (0.42) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493856-B1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | HOFFMANN LA ROCHE (CH) | 2016-04-27 | — | — | EP | disclosed |
| EP-2763969-B1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2015-11-25 | — | — | EP | disclosed |
| EP-2763969-A1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| US-8716316-B2 | Positive allosteric modulators (PAM) | HOFFMANN-LA ROCHE INC. (US) | 2014-05-06 | — | — | US | disclosed |
| US-8530472-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-09-10 | — | — | US | disclosed |
| US-20130131056-A1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | HOFFMANN-LA ROCHE INC. (US) | 2013-05-23 | — | — | US | disclosed |
| WO-2013050460-A1 | ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |
| US-20130090347-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-04-11 | — | — | US | disclosed |
| US-8389536-B2 | Positive allosteric modulators (PAM) | HOFFMANN-LA ROCHE INC. (US) | 2013-03-05 | — | — | US | disclosed |
| EP-2493856-A1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | F. Hoffmann-La Roche AG (CH) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011051201-A1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-05 | — | — | WO | disclosed |
| US-20110098313-A1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | HOFFMANN-LA ROCHE, INC. | 2011-04-28 | — | — | 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-20130090347-A1 | ETHYNYL DERIVATIVES | GRM5, GRM1, GRIK5 | GRM4 6/4885HSP90AA1 4273/4885AURKA 3582/4885 |
| US-20110098313-A1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | GRM5, GRM1, GRM2 | GRM4 4/4885HSP90AA1 4469/4885AURKA 2946/4885 |
| US-20130131056-A1 | POSITIVE ALLOSTERIC MODULATORS (PAM) | GRM5, GRM1, GRM2 | GRM4 4/4885HSP90AA1 4469/4885AURKA 2946/4885 |
“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.