Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 1/20 | 0.54 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13003705 | 1.00 | PARP1 (0.54) | PARP1CHEK1PIM1RPS6KA3NR4A2 | |
| SCHEMBL1507612 | 0.85 | PARP1 (0.54) | PARP1CHEK1PIM1RPS6KA3NR4A2 | |
| SCHEMBL12489082 | 0.79 | PIM1 (0.51) | CHEK1PIM1RPS6KA3SMN1; SMN2IDO1 | |
| SCHEMBL2191216 | 0.78 | ALDH1A1 (0.55) | PARP1PIM1NR4A2RXFP1SMN1; SMN2 | |
| SCHEMBL29798728 | 0.78 | PARP1 (0.50) | PARP1CHEK1IDO1HTR2A | |
| SCHEMBL1663769 | 0.78 | PRKCI (0.56) | PARP1CHEK1PIM1RPS6KA3SMN1; SMN2 | |
| SCHEMBL1663176 | 0.78 | LMNA (0.51) | PARP1SMN1; SMN2HTR2AHTTMEN1 | |
| SCHEMBL144025 | 0.78 | PARP1 (0.50) | PARP1CHEK1PIM1RPS6KA3SMN1; SMN2 | |
| SCHEMBL1345856 | 0.78 | PARP1 (0.50) | PARP1CHEK1IDO1HTR2A | |
| SCHEMBL28572232 | 0.77 | MMP12 (0.60) | RXFP1SMN1; SMN2HTR2AMEN1KMT2A |
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 2 patents. 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 |
| WO-2022089219-A1 | ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2022-05-05 | — | — | WO | disclosed |