Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL256383 | 0.75 | KDM4E (0.55) | KDM4EKDM4DPARP1TSHRTP53 | |
| SCHEMBL21089903 | 0.75 | KDM4E (0.59) | KDM4EKDM4DPARP1TSHRTP53 | |
| SCHEMBL3375873 | 0.75 | KDM4E (0.55) | KDM4EKDM4DPARP1TSHRTP53 | |
| SCHEMBL7008753 | 0.75 | KDM4E (0.55) | KDM4EKDM4DPARP1TSHRTP53 | |
| SCHEMBL17114770 | 0.75 | KDM4E (0.55) | KDM4EKDM4DPARP1TSHRTP53 | |
| SCHEMBL23227964 | 0.75 | KDM4E (0.55) | KDM4EKDM4DPARP1TSHRTP53 | |
| SCHEMBL4076644 | 0.72 | PARP1 (0.54) | KDM4EKDM4DPARP1CYP3A4FGFR1 | |
| SCHEMBL7701732 | 0.71 | KDM4E (0.73) | KDM4EKDM4DTSHRTP53HSP90AA1 | |
| SCHEMBL22607399 | 0.71 | KDM4E (0.50) | KDM4EKDM4DPARP1TSHRTP53 | |
| SCHEMBL983824 | 0.71 | KDM4E (0.50) | KDM4EKDM4DCYP3A4CYP2D6ATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8822464-B2 | N-aryl-piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-02 | — | — | US | disclosed |
| US-20130137688-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-30 | — | — | US | disclosed |
| WO-2013063100-A1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |
| WO-2013060029-A1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP (US) | 2013-05-02 | — | — | 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-20130137688-A1 | NOVEL COMPOUNDS | GRM5, GRIN1, GRM1 | KDM4E 1915/4885KDM4D 2953/4885PARP1 4076/4885 |
“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.