Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | PEPD | P12955 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726560 | 0.80 | ALDH1A1 (0.59) | ALDH1A1GLAHSD17B10PEPDNPC1 | |
| SCHEMBL11274838 | 0.78 | ALDH1A1 (0.50) | ALDH1A1GLAHSD17B10PEPDNPC1 | |
| SCHEMBL8264218 | 0.77 | ALDH1A1 (0.61) | ALDH1A1GLAHSD17B10PEPDNPC1 | |
| SCHEMBL5062623 | 0.74 | PEPD (0.80) | ALDH1A1GLAHSD17B10PEPDNPC1 | |
| SCHEMBL28804310 | 0.74 | ALDH1A1 (0.53) | ALDH1A1GLAHSD17B10PEPDNPC1 | |
| SCHEMBL360387 | 0.72 | NPC1 (0.70) | ALDH1A1GLAHSD17B10PEPDNPC1 | |
| SCHEMBL177957 | 0.71 | ALDH1A1 (1.00) | ALDH1A1GLANPC1KMT2AMEN1 | |
| SCHEMBL13177432 | 0.71 | CYP19A1 (0.52) | ALDH1A1HSD17B10KMT2AMAPTGAA | |
| SCHEMBL4100953 | 0.70 | RAB9A (0.56) | ALDH1A1HSD17B10NPC1KMT2AMEN1 | |
| SCHEMBL5528916 | 0.69 | SMN1; SMN2 (0.66) | ALDH1A1HSD17B10NPC1MAPTGAA |
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-2006063294-A2 | NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2006-06-15 | — | — | WO | disclosed |