Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL557758 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL578887 | 0.79 | ALDH1A1 (0.72) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL557513 | 0.79 | ALDH1A1 (0.61) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL3412115 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL10021922 | 0.78 | ALDH1A1 (0.70) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL14865008 | 0.78 | ALDH1A1 (0.70) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL3416817 | 0.76 | ALDH1A1 (0.68) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL12728436 | 0.75 | ALDH1A1 (0.56) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL22575889 | 0.74 | ALDH1A1 (0.66) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 | |
| SCHEMBL13433476 | 0.74 | ALDH1A1 (0.66) | ALDH1A1CYP2D6HDAC3HDAC4HDAC1 |
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-2018177989-A1 | NEW DITHIOSPIROKETAL COMPOUNDS AND USE THEREOF | ECOLE POLYTECHNIQUE (FR) | 2018-10-04 | — | — | WO | disclosed |