Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.40 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.40 |
| ▸ | CHRNA6 | Q15825 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28523201 | 1.00 | HPGD (0.42) | HPGDATMCHRNB2CHRNA3CHRNA4 | |
| SCHEMBL21634671 | 0.90 | HPGD (0.48) | HPGDATMCHRNB2CHRNA3CHRNA4 | |
| SCHEMBL28669901 | 0.89 | HPGD (0.50) | HPGDATMCHRNB2CHRNA3CHRNA4 | |
| SCHEMBL27831959 | 0.89 | CHRNB2 (0.46) | HPGDATMCHRNB2CHRNA3CHRNA4 | |
| SCHEMBL29117225 | 0.83 | ALDH1A1 (0.50) | HPGDCHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL29117223 | 0.83 | ALDH1A1 (0.50) | HPGDCHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL29143991 | 0.82 | ALDH1A1 (0.52) | HPGDCHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL21937509 | 0.80 | ATM (0.46) | ATMCHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL14391646 | 0.80 | ATM (0.46) | ATMCHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL12521650 | 0.78 | NPC1 (0.47) | HPGDCHRNB2CHRNA3CHRNA4CHRNB3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106188027-B | Aromatic heterocyclic derivative and application thereof in medicine | 广东东阳光药业有限公司 | 2020-10-20 | — | — | CN | disclosed |