Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL25376047 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPOLBSMN1; SMN2CYP3A4 | |
| SCHEMBL24399593 | 0.80 | POLB (0.48) | ALDH1A1POLBSMN1; SMN2TDP1KDM4E | |
| SCHEMBL30401036 | 0.80 | POLB (0.48) | ALDH1A1POLBSMN1; SMN2TDP1KDM4E | |
| SCHEMBL25378118 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRSMN1; SMN2CYP3A4MEN1 | |
| SCHEMBL30402505 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRSMN1; SMN2CYP3A4MEN1 | |
| SCHEMBL25376149 | 0.72 | ALDH1A1 (0.53) | ALDH1A1TSHRPOLBSMN1; SMN2CYP3A4 | |
| SCHEMBL6603021 | 0.71 | ALDH1A1 (0.48) | ALDH1A1TSHRPOLBSMN1; SMN2CYP3A4 | |
| SCHEMBL16236389 | 0.70 | LMNA (0.51) | ALDH1A1TSHRPOLBCYP3A4TDP1 | |
| SCHEMBL30162663 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TSHRSMN1; SMN2CYP3A4MEN1 | |
| SCHEMBL2260806 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TSHRSMN1; SMN2CYP3A4MEN1 |
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-116096718-A | Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |