Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11469489 | 0.85 | EPHX2 (0.43) | ALDH1A1MAPT | |
| SCHEMBL11478451 | 0.84 | GAA (0.45) | CES2ALDH1A1 | |
| SCHEMBL25431423 | 0.78 | HTR7 (0.49) | HDAC4HDAC7HDAC5ALDH1A1HTT | |
| SCHEMBL6472758 | 0.77 | CES2 (0.40) | CES2MGLLASAH1HDAC4HDAC7 | |
| SCHEMBL17999562 | 0.76 | KMT2A (0.50) | CES2HDAC4HDAC7HDAC5MEN1 | |
| SCHEMBL17999298 | 0.74 | HDAC4 (0.47) | CES2HDAC4HDAC7HDAC5MEN1 | |
| SCHEMBL11479645 | 0.74 | CES2 (0.39) | CES2MEN1HTTKMT2A | |
| Hexane SCHEMBL11468774 | 0.73 | MAPT (0.35) | CES2HDAC4HDAC7HDAC5MAPT | |
| SCHEMBL10847536 | 0.72 | MEN1 (0.41) | CES2ASAH1MEN1ALDH1A1KMT2A | |
| SCHEMBL28200813 | 0.71 | HDAC4 (0.44) | CES2HDAC4HDAC7HDAC5MEN1 |
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-4209621-A | TRANQUILIZERS | AMERICAN CYANAMID COMPANY (US) | 1980-06-24 | — | — | US | disclosed |