Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 9/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | 0.91 | CAPN1 (0.47) | CAPN1ESR1ESR2ADRA2ASLC6A2 | |
| SCHEMBL25937417 | 0.86 | ACHE (0.45) | CAPN1ESR1LMNAKDM4EALDH1A1 | |
| SCHEMBL7259739 | 0.85 | CAPN1 (0.44) | CAPN1ESR1ESR2LMNAGAA | |
| SCHEMBL7263190 | 0.73 | CAPN1 (0.39) | CAPN1ESR1ESR2GAACYP26A1 | |
| SCHEMBL34400 | 0.72 | — | — | |
| SCHEMBL2243896 | 0.72 | — | — | |
| SCHEMBL3553194 | 0.72 | — | — | |
| SCHEMBL3990482 | 0.70 | GLA (0.44) | CAPN1ESR1ESR2LMNAKDM4E | |
| SCHEMBL5385235 | 0.70 | GLA (0.44) | CAPN1ESR1ESR2LMNAKDM4E | |
| SCHEMBL7987893 | 0.69 | CAPN1 (0.41) | CAPN1ESR1ESR2GAACYP26A1 |
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 |