Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL84105 | 0.83 | CES2 (0.46) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL28676932 | 0.82 | IDO1 (0.41) | CES2CES1IDO1TDO2HSD11B1 | |
| SCHEMBL25482200 | 0.81 | IDO1 (0.56) | CES2CES1IDO1TDO2RECQL | |
| SCHEMBL17897218 | 0.79 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL17947416 | 0.79 | CES2 (0.52) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL1998132 | 0.79 | CES2 (0.52) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL17897217 | 0.79 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL14774740 | 0.79 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL7337984 | 0.79 | CES2 (0.43) | CES2CES1IDO1TDO2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL7992434 | 0.79 | TRPA1 (0.43) | PDE2ASLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6277851-B1 | ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS | ADIR ET COMPAGNIE (FR) | 2001-08-21 | — | — | US | disclosed |