Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.43 |
| ▸ | FEN1 | P39748 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31678827 | 0.82 | GSK3B (0.52) | ALDH1A1MAPK1HIF1ATP53ERCC5 | |
| SCHEMBL3930687 | 0.82 | GSK3B (0.52) | ALDH1A1MAPK1HIF1ATP53ERCC5 | |
| SCHEMBL9941981 | 0.82 | KCNH2 (0.50) | ALDH1A1MAPK1HIF1ATP53ERCC5 | |
| SCHEMBL27764538 | 0.82 | CES2 (0.63) | ALDH1A1MAPK1CES2CES1MAPT | |
| SCHEMBL2609241 | 0.81 | NOS2 (0.55) | ALDH1A1MAPK1HIF1ATP53ERCC5 | |
| SCHEMBL15771617 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPK1HIF1ATP53ERCC5 | |
| SCHEMBL22170840 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPK1HIF1ATP53ERCC5 | |
| SCHEMBL10361689 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPK1HIF1AERCC5FEN1 | |
| SCHEMBL28072667 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPK1HIF1ATP53CA1 | |
| SCHEMBL9692043 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPK1HIF1ATP53CA1 |
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-109721539-B | Pyrazole amide derivative and preparation method and application thereof | 天津药物研究院有限公司 | 2021-07-09 | — | — | CN | disclosed |
| CN-109721539-A | Pyrazole amide analog derivative and its preparation method and application | 天津药物研究院有限公司 | 2019-05-07 | — | — | CN | disclosed |