Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4836543 | 0.86 | CES2 (0.50) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL28156424 | 0.84 | NR1H4 (0.41) | SRD5A2CYP1A2FFAR1AKR1C3AKR1C2 | |
| SCHEMBL28153437 | 0.81 | HDAC3 (0.44) | CES2CES1 | |
| SCHEMBL28315396 | 0.79 | CA2 (0.41) | CES2CES1AKR1C3AKR1C2 | |
| SCHEMBL27996623 | 0.79 | BRD4 (0.42) | CES2CES1CNR2CYP1A2 | |
| SCHEMBL28044484 | 0.78 | CYP2D6 (0.44) | CES2CES1ACP3 | |
| SCHEMBL27621486 | 0.75 | CES2 (0.52) | CES2CES1GSK3BACP3EPHX2 | |
| SCHEMBL28854426 | 0.75 | TPSAB1 (0.39) | — | |
| SCHEMBL28148855 | 0.75 | NPSR1 (0.47) | CES2CES1ACP3 | |
| SCHEMBL28181391 | 0.73 | CES2 (0.59) | CES2CES1GSK3BACP3EPHX2 |
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-106470990-A | pyridazine compounds | 武田药品工业株式会社 | 2017-03-01 | — | — | CN | disclosed |