Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16414156 | 0.83 | HCAR2 (0.52) | HCAR2SMN1; SMN2ALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL4256663 | 0.80 | HCAR2 (0.48) | HCAR2SMN1; SMN2ALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL4256686 | 0.80 | HCAR2 (0.53) | HCAR2SMN1; SMN2ALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL4256679 | 0.80 | HCAR2 (0.53) | HCAR2SMN1; SMN2ALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL29022469 | 0.80 | HCAR2 (0.48) | HCAR2SMN1; SMN2ALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL4256659 | 0.80 | HCAR2 (0.48) | HCAR2SMN1; SMN2ALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL5764204 | 0.78 | HCAR2 (0.47) | HCAR2SMN1; SMN2ALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL5764205 | 0.78 | HCAR2 (0.47) | HCAR2SMN1; SMN2ALDH1A1CYP1A1CYP1A2 | |
| SCHEMBL1801877 | 0.75 | HCAR2 (0.60) | HCAR2SMN1; SMN2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL12018827 | 0.75 | HCAR2 (0.60) | HCAR2SMN1; SMN2CYP1A1CYP1A2CYP1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107163062-B | A kind of sulphonyl lactone compound and preparation method thereof | 武汉理工大学 | 2019-08-23 | — | — | CN | disclosed |
| CN-108658959-A | A kind of sulphonyl lactone compound and preparation method thereof containing pyridine ring | 武汉理工大学 | 2018-10-16 | — | — | CN | disclosed |
| CN-107163062-A | A kind of sulphonyl lactone compound and preparation method thereof | 武汉理工大学 | 2017-09-15 | — | — | CN | disclosed |