Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL10650918 | 0.91 | IDO1 (0.53) | IDO1TDO2ESR1ESR2KIF11 | |
| SCHEMBL10650923 | 0.88 | IDO1 (0.50) | IDO1TDO2ESR1ESR2KIF11 | |
| SCHEMBL11422568 | 0.86 | IDO1 (0.48) | IDO1TDO2ESR1ESR2KIF11 | |
| SCHEMBL10827267 | 0.85 | SRC (0.47) | ESR1ESR2KIF11CRHBPCRHR2 | |
| SCHEMBL10430217 | 0.81 | IDO1 (0.51) | IDO1TDO2ESR1ESR2KIF11 | |
| SCHEMBL9462827 | 0.79 | IDO1 (0.50) | IDO1TDO2ESR1ESR2KIF11 | |
| SCHEMBL9462598 | 0.77 | IDO1 (0.59) | IDO1TDO2ESR1ESR2KIF11 | |
| SCHEMBL11685234 | 0.77 | IDO1 (0.44) | IDO1TDO2ESR1ESR2MAPT | |
| SCHEMBL11687914 | 0.77 | IDO1 (0.47) | IDO1TDO2ESR1ESR2KIF11 | |
| SCHEMBL9814555 | 0.76 | ALOX5 (0.41) | IDO1TDO2ALOX5CHRNB2CHRNB4 |
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-0098545-B1 | EPIMERIZATION OF MALONIC ACID ESTERS | SHIONOGI & CO., LTD. (JP) | 1986-04-23 | — | — | EP | disclosed |