Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 4/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.34 |
| ▸ | ABAT | P80404 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL803253 | 0.84 | PTGS2 (0.38) | PTGS1AKR1C3AKR1C2PTGS2 | |
| SCHEMBL15681344 | 0.81 | ALDH1A1 (0.41) | PTGS1ALDH1A1PTGS2 | |
| SCHEMBL28908409 | 0.81 | PTGS1 (0.45) | CYP2A6PTGS1DRD1DRD2DRD4 | |
| SCHEMBL18085469 | 0.80 | KDM4E (0.37) | PTGS1ALDH1A1PTGS2 | |
| SCHEMBL12172448 | 0.80 | KDM4E (0.37) | PTGS1ALDH1A1PTGS2 | |
| SCHEMBL803112 | 0.78 | PTGS2 (0.41) | PTGS1PTGS2 | |
| SCHEMBL31227949 | 0.76 | PTGS1 (0.49) | CYP2A6PTGS1DRD1DRD2DRD4 | |
| SCHEMBL17508273 | 0.76 | PTGS1 (0.49) | CYP2A6PTGS1DRD1DRD2DRD4 | |
| SCHEMBL803431 | 0.76 | PTGS2 (0.40) | PTGS1PTGS2 | |
| SCHEMBL4549715 | 0.76 | PTGS2 (0.40) | PTGS1PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8216489-B2 | Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20110037024-A1 | THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-02-17 | — | — | 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 (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-20110037024-A1 | THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | LEF1, LAS1L, L3MBTL3 | CYP2A6 3987/4885PTGS1 4054/4885DRD1 60/4885 |
“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.