Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 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 | |
|---|---|---|---|---|
| SCHEMBL28898749 | 1.00 | ALDH1A1 (0.37) | ALDH1A1KDM4EGAAHPGDNPSR1 | |
| SCHEMBL28460679 | 0.85 | FLT1 (0.33) | ALDH1A1KDM4EGAAHPGDNPSR1 | |
| SCHEMBL24397796 | 0.84 | HPGD (0.48) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL29606778 | 0.82 | ALDH1A1 (0.34) | ALDH1A1KDM4EGAAHPGDNPSR1 | |
| SCHEMBL28456810 | 0.82 | ALDH1A1 (0.34) | ALDH1A1KDM4EGAAHPGDNPSR1 | |
| SCHEMBL29606642 | 0.79 | CYP3A4 (0.42) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL28455365 | 0.79 | CYP3A4 (0.42) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL24397879 | 0.77 | CRHR1 (0.49) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL28459463 | 0.77 | HPGD (0.49) | ALDH1A1HPGDLMNAHTTNPC1 | |
| SCHEMBL29606620 | 0.77 | HPGD (0.49) | ALDH1A1HPGDLMNAHTTNPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117285508-A | Preparation method of pyridyl pyrazole amide compound and intermediate thereof | 湖南化工研究院有限公司 | 2023-12-26 | — | — | CN | claimed |
| CN-114516855-A | Preparation of pyridylpyrazole amide compounds and intermediates therefor | 湖南化工研究院有限公司 | 2022-05-20 | — | — | CN | claimed |
| CN-114516854-A | Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof | 湖南化工研究院有限公司 | 2022-05-20 | — | — | CN | claimed |
| CN-117285508-A | Preparation method of pyridyl pyrazole amide compound and intermediate thereof | 湖南化工研究院有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-114516855-A | Preparation of pyridylpyrazole amide compounds and intermediates therefor | 湖南化工研究院有限公司 | 2022-05-20 | — | — | CN | disclosed |
| CN-114516854-A | Preparation method of 1-pyridyl pyrazole amide compound and intermediate thereof | 湖南化工研究院有限公司 | 2022-05-20 | — | — | CN | disclosed |