Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2700537 | 0.83 | SHBG (0.44) | SHBGEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10416643 | 0.83 | SHBG (0.44) | SHBGEPHX1TP53 | |
| SCHEMBL11853870 | 0.78 | SHBG (0.44) | SHBGEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16286822 | 0.78 | SHBG (0.44) | SHBGEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16287560 | 0.78 | SHBG (0.44) | SHBGEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16287565 | 0.76 | SHBG (0.41) | SHBGEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3101103 | 0.75 | SHBG (0.41) | SHBGEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6437481 | 0.75 | SHBG (0.46) | SHBGEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1357117 | 0.75 | SHBG (0.41) | SHBGEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9136493 | 0.75 | SHBG (0.38) | SHBGCYP1A2CYP2D6CYP2C19TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0358091-A2 | Derivative of 2-cyclohexylpropanal and perfumery composition comprising the same | KAO CORPORATION (JP) | 1990-03-14 | — | — | EP | disclosed |