Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25876575 | 0.85 | CYP2D6 (0.38) | CYP2D6MAPK1HRH3KCNH2CYP2C9 | |
| SCHEMBL12308626 | 0.82 | CYP1A2 (0.37) | CYP2D6MAPK1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL12308622 | 0.78 | CYP1A2 (0.43) | CYP2D6TSHRCYP1A2 | |
| SCHEMBL12308617 | 0.77 | RIPK1 (0.36) | CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL12308625 | 0.76 | HSD17B10 (0.39) | CYP2D6CYP2C9CYP3A4ALDH1A1TSHR | |
| SCHEMBL25870581 | 0.76 | MEN1 (0.43) | CYP2D6CYP2C9CYP3A4ALDH1A1TSHR | |
| SCHEMBL12308623 | 0.75 | CYP1A2 (0.47) | CYP2D6CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL12308615 | 0.75 | MEN1 (0.38) | CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL25870439 | 0.74 | POLB (0.47) | CYP2D6CYP3A4ALDH1A1USP2 | |
| SCHEMBL14417069 | 0.74 | HTR1A (0.43) | ALDH1A1TSHRCYP1A2CYP2C19 |
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-2023116920-A1 | PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |