Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19197803 | 0.94 | ESR1 (0.36) | CYP2A6CYP1A2ESR1ESR2FFAR1 | |
| SCHEMBL19196919 | 0.94 | CYP2A6 (0.37) | CYP2A6CYP1A2FFAR1FFAR4PTGS1 | |
| SCHEMBL21908510 | 0.89 | CYP2A6 (0.46) | CYP2A6CYP1A2ESR1ESR2ABL1 | |
| SCHEMBL19196920 | 0.84 | CYP2A6 (0.36) | CYP2A6CYP1A2FFAR1FFAR4PTGS1 | |
| SCHEMBL19798106 | 0.80 | BACE1 (0.38) | CYP2A6CYP1A2FFAR1FFAR4PTGS1 | |
| SCHEMBL18503372 | 0.80 | CYP1A2 (0.39) | CYP2A6CYP1A2FFAR1FFAR4PTGS1 | |
| SCHEMBL18194865 | 0.80 | CYP2A6 (0.50) | CYP2A6CYP1A2ESR1ESR2ABL1 | |
| SCHEMBL18627004 | 0.79 | KDM4E (0.46) | CYP2A6CYP1A2FFAR1FFAR4PTGS1 | |
| SCHEMBL19197845 | 0.79 | HRH3 (0.37) | FFAR1FFAR4PTGS1PTGS2HRH3 | |
| SCHEMBL19197050 | 0.79 | CYP2A6 (0.36) | CYP2A6CYP1A2PTGS1PTGS2TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3173457-B1 | LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2019-06-05 | — | — | EP | disclosed |
| US-20180030346-A1 | NEMATIC LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT MANUFACTURED USING SAME | DIC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |
| US-20170218271-A1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME | DIC CORPORATION (JP) | 2017-08-03 | — | — | 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-20180030346-A1 | NEMATIC LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT MANUFACTURED USING SAME | LBR, VSIR, KIF23 | CYP2A6 4747/4885CYP1A2 4385/4885ESR1 4398/4885 |
“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.