Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | ACP1 | P24666 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24399684 | 0.80 | CYP3A4 (0.44) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL3501395 | 0.79 | TDP1 (0.49) | ACP1ALDH1A1NOTUMSMN1; SMN2 | |
| SCHEMBL3501392 | 0.79 | TDP1 (0.49) | ACP1ALDH1A1NOTUMSMN1; SMN2 | |
| SCHEMBL8586278 | 0.78 | MAPT (0.50) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL6135928 | 0.76 | ESR1 (0.44) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL29220712 | 0.70 | HTR3E (0.55) | ESR1ESR2HTR3EHTR3BHTR3A | |
| SCHEMBL6606026 | 0.68 | ALDH1A1 (0.39) | ESR1ESR2ACP1ALDH1A1HPGD | |
| SCHEMBL29893557 | 0.67 | AR (0.52) | — | |
| SCHEMBL1768874 | 0.66 | ACP1 (0.46) | ESR1ACP1ALDH1A1NOTUMSMN1; SMN2 | |
| SCHEMBL30454780 | 0.66 | ACP1 (0.46) | ESR1ACP1ALDH1A1NOTUMSMN1; SMN2 |
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 |