Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 6/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL17359277 | 0.93 | CYP2A6 (0.42) | CYP2A6CYP1A2ESR1ESR2TDP1 | |
| SCHEMBL18194865 | 0.87 | CYP2A6 (0.50) | CYP2A6CYP1A2ESR1ESR2TDP1 | |
| SCHEMBL17359248 | 0.86 | PDE3B (0.38) | RPS6KA3AKR1C3AKR1C2PDE3BPDE3A | |
| SCHEMBL13671369 | 0.85 | CYP2A6 (0.52) | CYP2A6CYP1A2ESR1ESR2TDP1 | |
| SCHEMBL21908510 | 0.84 | CYP2A6 (0.46) | CYP2A6CYP1A2ESR1ESR2TDP1 | |
| SCHEMBL17359262 | 0.83 | RPS6KA3 (0.46) | RPS6KA3PDE3BPDE3A | |
| SCHEMBL14228599 | 0.83 | KDM4E (0.41) | CYP2A6CYP1A2ESR1ESR2TDP1 | |
| SCHEMBL10005514 | 0.82 | AKR1C3 (0.40) | ESR1ESR2RPS6KA3AKR1C3AKR1C2 | |
| SCHEMBL17359263 | 0.79 | PTGS2 (0.42) | ESR1ESR2RPS6KA3PDE3BPDE3A | |
| SCHEMBL18963362 | 0.79 | ESR1 (0.50) | CYP2A6CYP1A2ESR1ESR2TDP1 |
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-9527870-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-12-27 | — | — | US | disclosed |
| US-20150368272-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2015-12-24 | — | — | 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-20150368272-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | YBX3, OCIAD1, PIEZO1 | CYP2A6 3653/4885CYP1A2 1712/4885ESR1 2983/4885 |
“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.