Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3825964 | 0.82 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 | |
| SCHEMBL27759532 | 0.79 | CHRNB2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 | |
| SCHEMBL28501662 | 0.79 | CHRNB2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 | |
| SCHEMBL4755637 | 0.77 | LMNA (0.41) | ALDH1A1KDM4EL3MBTL1HTR2AHRH1 | |
| SCHEMBL10454477 | 0.77 | TAAR1 (0.45) | ALDH1A1LMNATRPA1ALOX5MAPK1 | |
| SCHEMBL173965 | 0.74 | SMN1; SMN2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 | |
| Iodide SCHEMBL29054398 | 0.73 | SMN1; SMN2 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 | |
| SCHEMBL10372161 | 0.73 | KDM4E (0.48) | KDM4EL3MBTL1CYP2D6CYP2C19LMNA | |
| Bromide SCHEMBL1980740 | 0.73 | SMN1; SMN2 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 | |
| Water SCHEMBL2110704 | 0.73 | SMN1; SMN2 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 |
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-1524262-A1 | Inhibitors of histone deacetylase | Methylgene, Inc. (CA) | 2005-04-20 | — | — | EP | disclosed |