Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24921023 | 0.86 | AOC3 (0.44) | KDM4EACHEAOC3 | |
| SCHEMBL24921040 | 0.86 | AOC3 (0.44) | ACHEAOC3 | |
| SCHEMBL24920520 | 0.85 | MAPT (0.46) | ACHEHPGDAOC3 | |
| SCHEMBL24920548 | 0.84 | ACHE (0.48) | ALDH1A1ACHECYP1A2HSD17B10AOC3 | |
| SCHEMBL24920536 | 0.84 | ACHE (0.48) | ALDH1A1KDM4EACHEHPGDCYP1A2 | |
| SCHEMBL24920522 | 0.82 | CCR4 (0.48) | ALDH1A1HPGDCYP1A2HSD17B10ROCK2 | |
| SCHEMBL8983629 | 0.81 | ADRB1 (0.52) | ADRB1ALDH1A1KDM4EACHEROCK2 | |
| SCHEMBL13361845 | 0.80 | ADRB1 (0.59) | ADRB1ALDH1A1KDM4EACHECASP1 | |
| SCHEMBL24921022 | 0.78 | AOC3 (0.38) | ACHEAOC3 | |
| SCHEMBL24920547 | 0.77 | AOC3 (0.38) | AOC3 |
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 |