Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL601390 | 0.75 | MAPT (0.41) | CYP1A2ALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL1132752 | 0.73 | CYP1A2 (0.38) | CYP1A2ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL9235877 | 0.71 | CYP19A1 (0.39) | CTSDCYP1A2ALDH1A1KMT2ALMNA | |
| SCHEMBL6465771 | 0.70 | MAPT (0.37) | CYP1A2CYP2D6ALDH1A1KMT2AMEN1 | |
| SCHEMBL114442 | 0.67 | ALDH1A1 (0.46) | CYP1A2ALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL11863776 | 0.67 | CTSD (0.39) | CTSDCYP1A2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL15994878 | 0.66 | CYP1A2 (0.44) | CYP1A2CYP2D6ALDH1A1KMT2ALMNA | |
| SCHEMBL27523837 | 0.66 | ALDH1A1 (0.34) | CTSDCYP1A2CYP2D6ALDH1A1KMT2A | |
| SCHEMBL2056618 | 0.65 | KCNN4 (0.48) | CYP1A2CYP2D6ALDH1A1KMT2ALMNA | |
| SCHEMBL4388492 | 0.65 | CYP1A2 (0.45) | CYP1A2CYP2D6ALDH1A1KMT2ALMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105769860-A | Application of clomethiazole as medicine for preventing and treating liver and esophageal disease | 乔海灵 | 2016-07-20 | — | — | CN | disclosed |
| CN-105664181-A | Application of chlorzoxazone serving as probe drug in determination of metabolic activity of human body to nitrosamine compounds | 乔海灵 | 2016-06-15 | — | — | CN | disclosed |