Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HTR1D | P28221 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4530714 | 0.81 | CYP1A2 (0.48) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3194846 | 0.81 | LMNA (0.47) | CYP1A2CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL4377509 | 0.77 | KDM4E (0.58) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7443484 | 0.77 | MEN1 (0.62) | SIRT1KITMEN1KMT2A | |
| SCHEMBL13301938 | 0.76 | AHR (0.55) | CYP1A2CYP3A4CYP2C19HSD17B10GAA | |
| SCHEMBL22074044 | 0.75 | MAPT (0.48) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25904016 | 0.74 | TRPM8 (0.59) | CYP1A2CYP2C9HTR1DHSD17B10GAA | |
| SCHEMBL25903509 | 0.74 | ALOX5 (0.45) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25904050 | 0.74 | GAA (0.53) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19193144 | 0.73 | HTR7 (0.53) | TDP1CYP1A2CYP3A4CYP2D6CYP2C9 |
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-2023125397-A1 | PREPARATION METHOD FOR AROMATIC RING DERIVATIVE FOR IMMUNE REGULATION | 上海济煜医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |