Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL27627652 | 0.83 | CYP2C19 (0.38) | FFAR1CYP3A4CYP2C19HIF1ATSHR | |
| SCHEMBL474607 | 0.80 | CYP3A4 (0.44) | FFAR1CYP3A4CYP2C19HIF1ABDKRB2 | |
| SCHEMBL2899064 | 0.72 | CYP3A4 (0.40) | FFAR1CYP3A4CYP2C19HIF1ATSHR | |
| SCHEMBL8342630 | 0.72 | — | — | |
| SCHEMBL28017797 | 0.72 | CYP2C19 (0.44) | CYP2C19 | |
| SCHEMBL3836402 | 0.71 | CYP3A4 (0.39) | FFAR1CYP3A4CYP2C19HIF1ABDKRB2 | |
| SCHEMBL15059997 | 0.71 | FFAR1 (0.44) | FFAR1CYP3A4CYP2C19HIF1ABDKRB2 | |
| SCHEMBL2733709 | 0.70 | NR1H2 (0.52) | FFAR1CYP3A4CYP2C19HIF1ABDKRB2 | |
| SCHEMBL2733711 | 0.70 | NR1H2 (0.52) | FFAR1CYP3A4CYP2C19HIF1ABDKRB2 | |
| SCHEMBL30668922 | 0.70 | NR1H2 (0.52) | FFAR1CYP3A4CYP2C19HIF1ABDKRB2 |
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-1137040-A | New mercaptoalanoyldipeptide compounds process for their preparation and pharmaceutical compositions containign them | ADIR (FR) | 1996-12-04 | — | — | CN | disclosed |