Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3B
The experimentally established mechanism targets of Acamprosate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acamprosate SCHEMBL41983 | 0.87 | KDM4E (0.65) | KDM4EMAPK1HIF1AADRA1APAOX | |
| Acamprosate SCHEMBL7639758 | 0.85 | KDM4E (0.62) | KDM4EMAPK1HIF1AADRA1APAOX | |
| Acamprosate SCHEMBL34472814 | 0.85 | KDM4E (0.62) | KDM4EMAPK1HIF1AADRA1APAOX | |
| Acamprosate SCHEMBL17599929 | 0.85 | KDM4E (0.62) | KDM4EMAPK1HIF1AADRA1APAOX | |
| Acamprosate SCHEMBL6570666 | 0.85 | KDM4E (0.62) | KDM4EMAPK1HIF1AADRA1APAOX | |
| Acamprosate SCHEMBL347087 | 0.85 | KDM4E (0.62) | KDM4EMAPK1HIF1AADRA1APAOX | |
| SCHEMBL17754088 | 0.83 | KDM4E (0.65) | KDM4EMAPK1HIF1AADRA1APAOX | |
| SCHEMBL7402850 | 0.81 | KDM4E (0.70) | KDM4EMAPK1HIF1AADRA1APAOX | |
| SCHEMBL7523763 | 0.80 | KDM4E (0.67) | KDM4EMAPK1HIF1AADRA1APAOX | |
| SCHEMBL7924796 | 0.80 | KDM4E (0.67) | KDM4EMAPK1HIF1AADRA1APAOX |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009033079-A1 | EXTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE | XENOPORT, INC. (US) | 2009-03-12 | — | — | WO | disclosed |