Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | XIAP | P98170 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.45 |
| ▸ | CIT | O14578 | 1/20 | 0.45 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL26464123 | 0.88 | TP53 (0.65) | TP53MAPTAAK1ROCK2BACE1 | |
| SCHEMBL26464105 | 0.88 | TP53 (0.65) | TP53MAPTAAK1ROCK2BACE1 | |
| SCHEMBL23466573 | 0.85 | ROCK2 (0.51) | TP53MAPTAAK1ROCK2BACE1 | |
| SCHEMBL30452459 | 0.82 | ALDH1A1 (0.58) | TP53MAPTBACE1 | |
| SCHEMBL7289459 | 0.81 | BACE1 (0.60) | BACE1AKT1ALPIPKMPTGS1 | |
| SCHEMBL7289465 | 0.81 | BACE1 (0.60) | BACE1AKT1ALPIPKMPTGS1 | |
| SCHEMBL29002157 | 0.81 | MAPK1 (0.63) | BACE1ALPIPKMPTGS1XIAP | |
| SCHEMBL28085751 | 0.81 | MAPK1 (0.63) | BACE1ALPIPKMPTGS1XIAP | |
| SCHEMBL28085745 | 0.81 | MAPK1 (0.63) | BACE1ALPIPKMPTGS1XIAP | |
| SCHEMBL28555017 | 0.80 | ALDH1A1 (0.65) | TP53MAPTROCK2BACE1ROCK1 |
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 |