Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | C1S | P09871 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL224636 | 0.83 | TRPA1 (0.42) | KDM4ENPC1ALDH1A1LMNAGAA | |
| Ammonia Solution, Strong SCHEMBL28509301 | 0.81 | TRPA1 (0.41) | KDM4ENPC1ALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL7159867 | 0.81 | TRPA1 (0.41) | KDM4ENPC1ALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL6760433 | 0.81 | TRPA1 (0.41) | KDM4ENPC1ALDH1A1LMNAGAA | |
| Biphenyl SCHEMBL12979725 | 0.80 | ALDH1A1 (0.49) | KDM4ENPC1ALDH1A1LMNAGAA | |
| Trifluoroacetic Acid SCHEMBL31674669 | 0.72 | CES1 (0.37) | KDM4ENPC1ALDH1A1LMNAMAPT | |
| Trifluoroacetic Acid SCHEMBL6412377 | 0.70 | CYP2B6 (0.37) | CES1KDM1AL3MBTL1 | |
| SCHEMBL31165485 | 0.69 | SYK (0.30) | KDM4ENPC1ALDH1A1LMNAGAA | |
| Trifluoroacetic Acid SCHEMBL28036587 | 0.69 | CES1 (0.34) | GAACES1L3MBTL1BACE1 | |
| SCHEMBL6918958 | 0.68 | ALDH1A1 (0.50) | KDM4ENPC1ALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7863294-B2 | Heterocycle derivatives as histone deacetylase (HDAC) inhibitors | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-01-04 | — | — | US | disclosed |