Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL948858 | 0.92 | GSTP1 (0.45) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL2452767 | 0.90 | ESR1 (0.46) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL8589112 | 0.89 | ESR1 (0.50) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL8591437 | 0.87 | ESR1 (0.52) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL21295939 | 0.86 | ESR1 (0.39) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL28586046 | 0.81 | GSTP1 (0.48) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL714040 | 0.80 | ESR1 (0.40) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL712890 | 0.80 | SMN1; SMN2 (0.56) | ESR1ESR2CA1CA2CYP1A2 | |
| SCHEMBL21635205 | 0.79 | HSD17B1 (0.47) | ESR1ESR2ALOX5CA1CA2 | |
| SCHEMBL25097 | 0.79 | ALDH1A1 (0.45) | ALOX5CA1CA2CA9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2935197-A1 | METHOD FOR PRODUCING DIARYL CARBONATE | Covestro Deutschland AG (DE) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014095776-A1 | METHOD FOR PRODUCING DIARYL CARBONATE | BAYER MATERIALSCIENCE AG (DE) | 2014-06-26 | — | — | WO | disclosed |