Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.72 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | LCK | P06239 | 1/20 | 0.60 |
| ▸ | FYN | P06241 | 1/20 | 0.60 |
| ▸ | DAO | P14920 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.51 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19373020 | 0.87 | HDAC1 (0.62) | HDAC1CES2CES1HPGDLCK | |
| SCHEMBL12181209 | 0.84 | — | — | |
| SCHEMBL1862847 | 0.84 | RAB9A (0.68) | HDAC1RAB9ANPC1ALDH1A1GAA | |
| SCHEMBL3808277 | 0.82 | HDAC1 (0.56) | HDAC1CES2CES1HPGDLCK | |
| SCHEMBL3415908 | 0.82 | — | — | |
| SCHEMBL6957032 | 0.82 | — | — | |
| SCHEMBL1877973 | 0.82 | — | — | |
| SCHEMBL28078808 | 0.81 | GAA (0.56) | HDAC1CES2CES1HPGDLCK | |
| SCHEMBL27652929 | 0.80 | HPGD (0.76) | HDAC1CES2CES1HPGDLCK | |
| SCHEMBL8234668 | 0.80 | HDAC1 (0.49) | HDAC1CES2CES1HPGDLCK |
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-105753852-B | The micro-wave digestion solvent-free solid-phase synthetic method and application of oxygen-containing, sulfur-bearing, nitrogenous substituted five-membered heterocycle azole compounds | 中南民族大学 | 2019-04-02 | — | — | CN | disclosed |
| CN-105753852-A | Microwave-digestion solvent-free solid-phase synthesis method and application of oxygen-containing, sulfur-containing and nitrogen-containing substituted five-membered heterocycle azole compounds | 中南民族大学 | 2016-07-13 | — | — | CN | disclosed |