Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SERPINE1 | P05121 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.43 |
| ▸ | ECE1 | P42892 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28974381 | 0.85 | BACE1 (0.45) | SERPINE1MAPTROCK2ROCK1BACE1 | |
| SCHEMBL28974379 | 0.85 | BACE1 (0.45) | SERPINE1MAPTROCK2ROCK1BACE1 | |
| SCHEMBL5145729 | 0.76 | BACE1 (0.54) | MAPTROCK2ROCK1LMNABACE1 | |
| SCHEMBL1614525 | 0.76 | BACE1 (0.54) | MAPTROCK2ROCK1LMNABACE1 | |
| SCHEMBL29758185 | 0.75 | SLC7A5 (0.42) | ROCK2ROCK1BACE1AAK1ECE1 | |
| SCHEMBL29758012 | 0.75 | SLC7A5 (0.42) | ROCK2ROCK1BACE1AAK1ECE1 | |
| SCHEMBL6518160 | 0.73 | MAPT (0.64) | MAPTLMNAALDH1A1GAAHPGD | |
| SCHEMBL26464123 | 0.73 | TP53 (0.65) | MAPTROCK2ROCK1BACE1AAK1 | |
| SCHEMBL26464105 | 0.73 | TP53 (0.65) | MAPTROCK2ROCK1BACE1AAK1 | |
| SCHEMBL28704562 | 0.73 | TP53 (0.40) | SERPINE1MAPTGPR35ECE1CCR2 |
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 |