Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24597125 | 0.85 | ALDH1A1 (0.40) | ALDH1A1CYP1A2SMN1; SMN2NAMPTTSHR | |
| SCHEMBL4438984 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP1A2POLBHTTSMN1; SMN2 | |
| SCHEMBL4435661 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CYP1A2SMN1; SMN2NAMPTMEN1 | |
| SCHEMBL24341884 | 0.83 | ALDH1A1 (0.53) | ALDH1A1CYP1A2SMN1; SMN2TSHR | |
| SCHEMBL13360768 | 0.79 | ALDH1A1 (0.52) | ALDH1A1OPRM1BLMEPHX2CHRNB2 | |
| SCHEMBL22605433 | 0.79 | OPRM1 (0.41) | ALDH1A1OPRM1BLMDRD3EPHX2 | |
| SCHEMBL12045659 | 0.78 | CYP1A2 (0.43) | ALDH1A1EPHX2CYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL4463404 | 0.78 | CYP2C19 (0.33) | ALDH1A1CYP1A2MEN1TSHRKMT2A | |
| SCHEMBL14277668 | 0.78 | ALDH1A1 (0.50) | ALDH1A1OPRM1BLMEPHX2CHRNB2 | |
| SCHEMBL13804168 | 0.76 | ALDH1A1 (0.48) | ALDH1A1OPRM1BLMEPHX2CHRNB2 |
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-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |