Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 2/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10985017 | 0.90 | AKR1B1 (0.50) | AKR1B1GLSALDH1A1HPGDHSD17B10 | |
| SCHEMBL4402323 | 0.82 | AKR1B1 (0.62) | AKR1B1GLSALDH1A1HPGDHSD17B10 | |
| SCHEMBL4579838 | 0.81 | SLC7A5 (0.51) | CYP4F2CYP4A11ALDH1A1HPGDHDAC1 | |
| SCHEMBL27780871 | 0.81 | SMN1; SMN2 (0.66) | AKR1B1GLSHSD17B10CYP1A2CYP2C19 | |
| SCHEMBL3114737 | 0.80 | AKR1B1 (0.56) | AKR1B1GLSALDH1A1HPGDHSD17B10 | |
| SCHEMBL70565 | 0.80 | AKR1B1 (0.71) | AKR1B1GLSALDH1A1HPGDHSD17B10 | |
| SCHEMBL10963130 | 0.79 | ALDH1A1 (0.68) | AKR1B1GLSALDH1A1HPGDHSD17B10 | |
| Setogepram SCHEMBL289216 | 0.78 | ALDH1A1 (0.69) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| Setogepram SCHEMBL29395927 | 0.78 | ALDH1A1 (0.69) | ALDH1A1HPGDHSD17B10PPARAPPARG | |
| SCHEMBL18530352 | 0.78 | MAOA (0.55) | AKR1B1GLSCYP4F2CYP4A11ALDH1A1 |
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-1973872-A1 | INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF | Methylgene, Inc. (CA) | 2008-10-01 | — | — | EP | disclosed |
| WO-2008074132-A1 | INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF | METHYLGENE INC. (CA) | 2008-06-26 | — | — | WO | disclosed |