Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7473459 | 0.85 | CES2 (0.43) | ALOX5CES2CES1LCKFYN | |
| SCHEMBL7466610 | 0.83 | ALOX5 (0.50) | ALOX5CES2CES1LCKFYN | |
| SCHEMBL5129994 | 0.79 | ALOX5 (0.42) | ALOX5CES2CES1LCKFYN | |
| SCHEMBL27586694 | 0.78 | ALOX5 (0.41) | ALOX5CES2CES1LCKFYN | |
| SCHEMBL28647770 | 0.76 | ALOX5 (0.40) | ALOX5CES2CES1LCKFYN | |
| SCHEMBL4013434 | 0.76 | CHRNB2 (0.43) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL27757242 | 0.75 | — | — | |
| SCHEMBL8716724 | 0.74 | ALOX5 (0.53) | ALOX5CES2CES1LCKFYN | |
| SCHEMBL7827555 | 0.74 | — | — | |
| SCHEMBL27734035 | 0.74 | ALOX5 (0.41) | ALOX5CES2CES1LCKFYN |
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 |
|---|---|---|---|---|---|---|---|
| CN-108884103-A | Tricyclic compounds as immunomodulators | 正大天晴药业集团股份有限公司 | 2018-11-23 | — | — | CN | disclosed |