Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11231106 | 1.00 | CETP (0.35) | CETPCYP2C19CYP1A2CYP4F2CYP4A11 | |
| SCHEMBL11231111 | 1.00 | CETP (0.35) | CETPCYP2C19CYP1A2CYP4F2CYP4A11 | |
| SCHEMBL22576437 | 0.83 | CYP2C19 (0.38) | CYP2C19CYP1A2 | |
| SCHEMBL28312517 | 0.83 | GRM2 (0.38) | CETPCYP2C19CYP1A2 | |
| SCHEMBL27313919 | 0.79 | CYP1A2 (0.45) | CETPCYP2C19CYP1A2CYP4F2CYP4A11 | |
| SCHEMBL3953039 | 0.79 | CYP2C19 (0.48) | CETPCYP2C19CYP4F2CYP4A11TBXAS1 | |
| SCHEMBL1327047 | 0.79 | CYP2C19 (0.43) | CETPCYP2C19CYP4F2CYP4A11TBXAS1 | |
| SCHEMBL887668 | 0.77 | CYP2C19 (0.52) | CETPCYP2C19CYP4F2CYP4A11TBXAS1 | |
| SCHEMBL11293143 | 0.77 | CYP2C19 (0.52) | CETPCYP2C19CYP4F2CYP4A11TBXAS1 | |
| Hydrochloric Acid SCHEMBL7130979 | 0.75 | CYP2C19 (0.50) | CETPCYP2C19CYP4F2CYP4A11TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-57181033-A | — | — | None | — | — | JP | disclosed |
| JP-S57181033-A | NOVEL CYCLOHEXANECARBOXYLIC ACID DERIVATIVE | HISAMITSU PHARMACEUT CO INC | 1982-11-08 | — | — | JP | disclosed |