Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25408725 | 0.81 | GAA (0.44) | GAACES2CES1KCNN4CNR2 | |
| SCHEMBL29010045 | 0.79 | CES1 (0.42) | GAACES2CES1KCNN4CNR2 | |
| SCHEMBL6438147 | 0.79 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP2D6KMT2A | |
| SCHEMBL3034282 | 0.76 | GAA (0.45) | GAACES2CES1CYP2C19KCNN4 | |
| SCHEMBL27644964 | 0.73 | GAA (0.40) | GAACES2CES1CYP2C19KCNN4 | |
| SCHEMBL15105788 | 0.72 | CES2 (0.46) | GAACES2CES1KCNN4CNR2 | |
| SCHEMBL15539306 | 0.71 | CES2 (0.45) | GAACES2CES1KCNN4CNR2 | |
| SCHEMBL28369078 | 0.71 | CES2 (0.45) | GAACES2CES1KCNN4CNR2 | |
| SCHEMBL28369592 | 0.71 | CES2 (0.45) | GAACES2CES1KCNN4CNR2 | |
| SCHEMBL29015076 | 0.71 | CES2 (0.45) | GAACES2CES1KCNN4CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005030735-A1 | TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2005-04-07 | — | — | WO | claimed |