Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11070443 | 0.81 | NPC1 (0.45) | ALDH1A1HSD17B10APEX1ACHEL3MBTL1 | |
| SCHEMBL21102254 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HSD17B10LMNAAPEX1ACHE | |
| SCHEMBL1930612 | 0.78 | FFAR1 (0.56) | ALDH1A1HSD17B10TSHRSMN1; SMN2HPGD | |
| SCHEMBL5749116 | 0.76 | ACHE (0.47) | ALDH1A1CYP3A4HSD17B10CA12CA2 | |
| SCHEMBL26192998 | 0.76 | CYP3A4 (0.50) | ALDH1A1CYP3A4HSD17B10CA12CA2 | |
| SCHEMBL4551576 | 0.76 | APEX1 (0.66) | ALDH1A1CYP3A4HSD17B10CA12CA2 | |
| SCHEMBL29650224 | 0.74 | SMN1; SMN2 (0.50) | ALDH1A1CYP3A4HSD17B10CA12CA2 | |
| SCHEMBL11214282 | 0.74 | SMN1; SMN2 (0.50) | ALDH1A1CYP3A4HSD17B10CA12CA2 | |
| SCHEMBL11214281 | 0.74 | APEX1 (0.46) | ALDH1A1CYP3A4HSD17B10CA12CA2 | |
| SCHEMBL8147162 | 0.74 | LMNA (0.54) | ALDH1A1CYP3A4HSD17B10LMNAAPEX1 |
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-2006102760-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2006-10-05 | — | — | WO | disclosed |