Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CCR4 | P51679 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | KHK | P50053 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24920522 | 0.93 | CCR4 (0.48) | ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL24920516 | 0.83 | HSD17B10 (0.41) | ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL24920538 | 0.82 | DYRK1A (0.44) | ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL24920534 | 0.82 | HSD17B10 (0.45) | ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL26046514 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL26046515 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL24920525 | 0.80 | DYRK1A (0.52) | CYP2D6HSD17B10CYP3A4TSHRCRBN | |
| SCHEMBL24920533 | 0.78 | HSD17B10 (0.57) | ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2 | |
| SCHEMBL24920523 | 0.78 | ADRB1 (0.51) | ALDH1A1HSD17B10CYP1A2HPGDROCK1 | |
| SCHEMBL20455775 | 0.76 | ALDH1A1 (0.83) | ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2 |
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-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |