Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.62 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL129408 | 0.84 | — | — | |
| SCHEMBL13263234 | 0.81 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL6068178 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL3678137 | 0.74 | ESR1 (0.42) | CYP2A6CYP2B6ESR1ESR2 | |
| SCHEMBL6068005 | 0.74 | ESR2 (0.68) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL6864562 | 0.74 | CYP2A6 (0.50) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7462631 | 0.72 | CASP1 (0.45) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL11083787 | 0.69 | — | — | |
| SCHEMBL3091370 | 0.69 | — | — | |
| SCHEMBL129407 | 0.69 | — | — |
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-20090088576-A1 | Process for the Stereoselective Preparation of Alcohols From Alpha, Beta-Insaturated Compounds | SPEEDEL EXPERIMENTA AG (CH) | 2009-04-02 | — | — | 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-20090088576-A1 | Process for the Stereoselective Preparation of Alcohols From Alpha, Beta-Insaturated Compounds | ADH1C, ADH1A, EBP | CYP2A6 394/4885CYP2B6 429/4885CYP3A4 464/4885 |
“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.