Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.33 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29008597 | 0.80 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C19ALDH1A1GRM2 | |
| SCHEMBL13520077 | 0.78 | ALDH1A1 (0.31) | CYP1A2CYP2D6CYP2C19ALDH1A1GRM2 | |
| SCHEMBL14862117 | 0.72 | GRM2 (0.46) | CYP1A2CYP2D6CYP2C19ALDH1A1GRM2 | |
| SCHEMBL8689028 | 0.72 | GRM2 (0.46) | CYP1A2CYP2D6CYP2C19ALDH1A1GRM2 | |
| SCHEMBL2059453 | 0.70 | GRM2 (0.44) | CYP1A2ALDH1A1GRM2 | |
| SCHEMBL7782467 | 0.69 | SIGMAR1 (0.37) | CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL28970780 | 0.68 | KMT2A (0.34) | HTTPKM | |
| SCHEMBL3113825 | 0.68 | GRM2 (0.39) | CYP1A2CYP2D6CYP2C19ALDH1A1GRM2 | |
| SCHEMBL7790061 | 0.67 | SIGMAR1 (0.35) | — | |
| SCHEMBL27636983 | 0.67 | SIGMAR1 (0.40) | CYP1A2CYP2D6CYP2C19ALDH1A1PKM |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7648742-B2 | Difluorosubstituted heterocyclic compounds and the use thereof in the form of components in liquid crystalline media | MERCK PATENT GMBH (DE) | 2010-01-19 | — | — | US | disclosed |
| US-7648742-B2 | Difluorosubstituted heterocyclic compounds and the use thereof in the form of components in liquid crystalline media | MERCK PATENT GMBH (DE) | 2010-01-19 | — | — | US | disclosed |
| US-7648742-B2 | Difluorosubstituted heterocyclic compounds and the use thereof in the form of components in liquid crystalline media | MERCK PATENT GMBH (DE) | 2010-01-19 | — | — | US | disclosed |
| US-20080071097-A1 | Difluorosubstituted Heterocyclic Compounds and the Use Thereof in the Form of Components in Liquid Crystalline Media | MERCK PATENT GMBH (DE) | 2008-03-20 | — | — | US | disclosed |
| US-20080071097-A1 | Difluorosubstituted Heterocyclic Compounds and the Use Thereof in the Form of Components in Liquid Crystalline Media | MERCK PATENT GMBH (DE) | 2008-03-20 | — | — | US | disclosed |
| US-20080071097-A1 | Difluorosubstituted Heterocyclic Compounds and the Use Thereof in the Form of Components in Liquid Crystalline Media | MERCK PATENT GMBH (DE) | 2008-03-20 | — | — | US | disclosed |
| WO-2006012965-A1 | DIFLUOROSUBSTITUTED HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN THE FORM OF COMPONENTS IN LIQUID CRYSTALLINE MEDIA | MERCK PATENT GMBH (DE) | 2006-02-09 | — | — | 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-20080071097-A1 | Difluorosubstituted Heterocyclic Compounds and the Use Thereof in the Form of Components in Liquid Crystalline Media | C1S, CCND3, CCND2 | CYP1A2 355/4885CYP2D6 587/4885CYP2C19 1584/4885 |
“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.