Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7178094 | 0.85 | CYP2C9 (0.34) | AOC3ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7178095 | 0.85 | CYP2C9 (0.34) | AOC3ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7172102 | 0.82 | HDAC6 (0.37) | — | |
| SCHEMBL3383309 | 0.79 | CA2 (0.39) | AOC3SLC6A4CA2SLC6A2 | |
| SCHEMBL9572514 | 0.69 | L3MBTL1 (0.43) | AOC3SLC6A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL3381066 | 0.68 | CA2 (0.37) | AOC3SLC6A4CA2CYP1A2SLC6A2 | |
| SCHEMBL6839394 | 0.68 | ALDH1A1 (0.33) | AOC3SLC6A4ADRB2ADRB1ADRB3 | |
| SCHEMBL10971605 | 0.67 | ALDH1A1 (0.38) | AOC3SLC6A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9572563 | 0.67 | AOC3 (0.43) | AOC3SLC6A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL20640607 | 0.66 | ADRB2 (0.38) | AOC3ADRB2ADRB1 |
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-1280764-A2 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001070675-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2001-09-27 | — | — | WO | disclosed |