Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | ODC1 | P11926 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22278168 | 0.92 | CPB2 (0.39) | CPB2CYP2C19POLBBLMATM | |
| SCHEMBL12231851 | 0.87 | CYP2C19 (0.43) | CYP2C19POLBBLMATMHDAC3 | |
| SCHEMBL4473680 | 0.87 | CYP2C19 (0.43) | CYP2C19POLBBLMATMHDAC3 | |
| SCHEMBL9129718 | 0.83 | — | — | |
| SCHEMBL30917919 | 0.81 | CES2 (0.42) | CYP2C19POLBBLMATMHDAC3 | |
| SCHEMBL16259206 | 0.81 | CYP2C19 (0.41) | CYP2C19POLBBLMATMHDAC3 | |
| SCHEMBL10583845 | 0.81 | — | — | |
| SCHEMBL13818299 | 0.80 | TSHR (0.45) | CYP2C19POLBBLMATMCYP3A4 | |
| SCHEMBL12231848 | 0.80 | ALDH1A1 (0.47) | CYP2C19POLBBLMATMCES2 | |
| SCHEMBL5596697 | 0.80 | CYP2C19 (0.38) | CYP2C19POLBBLMATMHDAC3 |
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-2020151682-A1 | MACROCYCLIC IMMUNOMODULATOR | 成都先导药物开发股份有限公司 | 2020-07-30 | — | — | WO | disclosed |