Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | F11 | P03951 | 2/20 | 0.48 |
| ▸ | PYGL | P06737 | 6/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | CIT | O14578 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29121392 | 1.00 | ROCK2 (0.49) | ROCK2ROCK1KDM4EHPGDSRD5A2 | |
| Hydrochloric Acid SCHEMBL29757993 | 0.99 | ROCK2 (0.48) | ROCK2ROCK1KDM4EHPGDSRD5A2 | |
| Hydrochloric Acid SCHEMBL28974362 | 0.99 | ROCK2 (0.48) | ROCK2ROCK1KDM4EHPGDSRD5A2 | |
| Hydrochloric Acid SCHEMBL28974360 | 0.99 | ROCK2 (0.48) | ROCK2ROCK1KDM4EHPGDSRD5A2 | |
| SCHEMBL28292637 | 0.90 | KDM4E (0.52) | KDM4EHPGDHSD17B10ALDH1A1F11 | |
| SCHEMBL28560580 | 0.87 | KDM4E (0.50) | KDM4EHPGDSRD5A2HSD17B10ALDH1A1 | |
| SCHEMBL28560583 | 0.87 | KDM4E (0.50) | KDM4EHPGDSRD5A2HSD17B10ALDH1A1 | |
| SCHEMBL28292644 | 0.86 | MMP13 (0.66) | ROCK2ROCK1KDM4EHPGDHSD17B10 | |
| SCHEMBL28292641 | 0.86 | MMP13 (0.66) | ROCK2ROCK1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL23466639 | 0.85 | MMP13 (0.65) | ROCK2ROCK1KDM4EHPGDHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539158-B | FXIa inhibitor compound and preparation method and application thereof | 沈阳药科大学 | 2023-12-08 | — | — | CN | disclosed |
| 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 |