Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28690146 | 1.00 | CES2 (0.40) | CES2CES1TRPM8NR1I2SLC6A3 | |
| SCHEMBL28324129 | 0.83 | CES2 (0.42) | CES2CES1TRPM8LMNACHRM2 | |
| SCHEMBL27795851 | 0.82 | HDAC4 (0.46) | CES2CES1IDO1TDO2 | |
| SCHEMBL9090928 | 0.81 | ALDH1A1 (0.41) | IDO1TDO2HCAR2 | |
| SCHEMBL28649908 | 0.81 | ALDH1A1 (0.41) | IDO1TDO2HCAR2 | |
| SCHEMBL16456950 | 0.79 | CES2 (0.39) | CES2CES1TRPM8NR1I2SLC6A3 | |
| SCHEMBL528282 | 0.76 | KMT2A (0.43) | TSHR | |
| SCHEMBL16456951 | 0.75 | CES2 (0.36) | CES2CES1TRPM8NR1I2SLC6A3 | |
| SCHEMBL27889284 | 0.74 | ALDH1A1 (0.41) | LMNACHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL22723275 | 0.74 | ADRB1 (0.43) | LMNATSHRMAPT |
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-113354585-A | Synthesis of novel EP4 antagonists and their use in cancer and inflammation | 湖北生物医药产业技术研究院有限公司 | 2021-09-07 | — | — | CN | disclosed |