Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11054098 | 1.00 | ESR2 (0.53) | ESR2CYP3A4ALDH1A1SMN1; SMN2XDH | |
| SCHEMBL28770396 | 0.91 | CYP3A4 (0.45) | ESR2CYP3A4ALDH1A1SMN1; SMN2XDH | |
| SCHEMBL251315 | 0.81 | ALDH1A1 (0.41) | CYP3A4ALDH1A1SMN1; SMN2XDHTP53 | |
| SCHEMBL9292257 | 0.81 | ESR2 (0.41) | ESR2CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL9292251 | 0.81 | ESR2 (0.41) | ESR2CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL9297253 | 0.81 | ESR2 (0.40) | ESR2CYP3A4ALDH1A1SMN1; SMN2XDH | |
| SCHEMBL11014791 | 0.81 | ESR2 (0.40) | ESR2CYP3A4ALDH1A1SMN1; SMN2XDH | |
| SCHEMBL9285448 | 0.80 | NPC1 (0.55) | CYP3A4ALDH1A1SMN1; SMN2XDHTP53 | |
| SCHEMBL11088570 | 0.80 | ALDH1A1 (0.40) | ESR2CYP3A4ALDH1A1SMN1; SMN2XDH | |
| SCHEMBL8522435 | 0.79 | CYP3A4 (0.34) | ESR2CYP3A4ALDH1A1SMN1; SMN2XDH |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57167934-A | — | — | None | — | — | JP | disclosed |
| JP-57165345-A | — | — | None | — | — | JP | disclosed |
| US-4487954-A | LIQUID CRYSTALS | CHISSO CORPORATION (JP) | 1984-12-11 | — | — | US | disclosed |
| US-4405488-A | LOW VISCOSITY, HIGH TRANSPARENT POINT | CHISSO CORPORATION (JP) | 1983-09-20 | — | — | US | disclosed |
| JP-S57167934-A | 4-(4'-(4\"-ALKYLPHENYL)CYCLOHEXEN-1'-YL)HALOGENOBENZENE | CHISSO CORP | 1982-10-16 | — | — | JP | disclosed |
| JP-S57165345-A | TRANS-4'-(4\"-ALKYLPHENYL)CYCLOHEXYL 4-HALOGENOBENZOATE DERIVATIVE | CHISSO CORP | 1982-10-12 | — | — | JP | disclosed |