Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 7/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | STK17B | O94768 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL24163244 | 0.81 | CAPN1 (0.47) | CAPN1CA3CYP26A1ESR1GAA | |
| SCHEMBL25937417 | 0.73 | ACHE (0.45) | CAPN1ESR1GAA | |
| SCHEMBL7264335 | 0.73 | CAPN1 (0.45) | CAPN1CYP26A1ESR1MGAMGAA | |
| SCHEMBL7259739 | 0.72 | CAPN1 (0.44) | CAPN1CYP26A1ESR1MGAMGAA | |
| SCHEMBL568005 | 0.71 | PTPN1 (0.34) | — | |
| SCHEMBL313093 | 0.70 | CACNA1G (0.42) | CAPN1GSK3BCYP26A1CACNA1GGAA | |
| SCHEMBL568015 | 0.67 | — | — | |
| SCHEMBL18769698 | 0.67 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL949152 | 0.67 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL25253641 | 0.67 | CYP26A1 (0.43) | CAPN1CA3CYP26A1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003010157-A1 | DIOXANE DERIVATIVES AND A PROCESS FOR THEIR PREPARATION | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2003-02-06 | — | — | WO | claimed |
| WO-2003010157-A1 | DIOXANE DERIVATIVES AND A PROCESS FOR THEIR PREPARATION | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2003-02-06 | — | — | WO | disclosed |