Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL30637871 | 0.81 | CYP2D6 (0.39) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6155702 | 0.80 | TSHR (0.34) | CA12CA14 | |
| SCHEMBL6154559 | 0.79 | CYP2D6 (0.50) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6155710 | 0.77 | GAA (0.39) | CYP2D6CA12CA2 | |
| SCHEMBL15074927 | 0.76 | CYP2D6 (0.48) | CYP2D6CA12CA2CA14 | |
| SCHEMBL6153944 | 0.76 | ABCB1 (0.41) | CA12CA2CA14 | |
| SCHEMBL6233361 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL9328721 | 0.76 | SLC22A6 (0.48) | — | |
| SCHEMBL6157808 | 0.76 | SLC22A6 (0.48) | — | |
| SCHEMBL8529276 | 0.76 | SLC22A6 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | claimed |
| EP-0970947-B1 | PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES | KANEKA CORP (JP) | 2005-01-26 | — | — | EP | disclosed |
| WO-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | disclosed |
| US-6140527-A | Process for producing butyric ester derivatives | KANEKA CORPORATION (JP) | 2000-10-31 | — | — | US | disclosed |
| EP-0970947-A1 | PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES | KANEKA CORPORATION (JP) | 2000-01-12 | — | — | EP | disclosed |