Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 9/20 | 0.36 |
| ▸ | PELI1 | Q96FA3 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12822981 | 0.94 | PELI1 (0.37) | APPCYP3A4CYP2C9CYP2C19ESR1 | |
| SCHEMBL10302909 | 0.88 | ESR1 (0.37) | APPCYP3A4CYP2C9CYP2C19ESR1 | |
| SCHEMBL12821288 | 0.87 | KCNA3 (0.31) | MAOBKCNA3 | |
| SCHEMBL12823685 | 0.87 | KCNA3 (0.31) | MAOBKCNA3 | |
| SCHEMBL12821294 | 0.87 | CYP17A1 (0.40) | CYP3A4ESR1ESR2KCNA3HSD17B1 | |
| SCHEMBL12821251 | 0.86 | PTGS2 (0.38) | APPCYP2C19ESR1AKR1C3AKR1C2 | |
| SCHEMBL13586534 | 0.84 | APP (0.32) | APP | |
| SCHEMBL12718236 | 0.82 | KMT2A (0.34) | — | |
| SCHEMBL10302939 | 0.82 | PTGS1 (0.35) | APPCYP3A4CYP2C9CYP2C19NFE2L2 | |
| SCHEMBL12823421 | 0.81 | KDM1A (0.39) | PELI1NFE2L2MAOBKCNA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110090450-A1 | FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2011-04-21 | — | — | 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-20110090450-A1 | FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | LEF1, LAS1L, EFHD2 | APP 2200/4885CYP3A4 2310/4885CYP2C9 2816/4885 |
“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.