Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL24102289 | 1.00 | CYP2C9 (0.53) | CYP2C9TDP1ALDH1A1NPSR1PIK3CA | |
| SCHEMBL24102436 | 0.92 | PIK3CA (0.48) | CYP2C9TDP1ALDH1A1NPSR1PIK3CA | |
| SCHEMBL24102302 | 0.92 | SMN1; SMN2 (0.53) | CYP2C9TDP1ALDH1A1NPSR1PIK3CA | |
| SCHEMBL24102242 | 0.92 | NAMPT (0.51) | CYP2C9PIK3CANAMPTSMN1; SMN2MEN1 | |
| SCHEMBL29535886 | 0.92 | EGFR (0.50) | TDP1ALDH1A1PIK3CANAMPTMEN1 | |
| SCHEMBL24102498 | 0.92 | EGFR (0.50) | TDP1ALDH1A1PIK3CANAMPTMEN1 | |
| SCHEMBL24102554 | 0.91 | PIK3CA (0.45) | CYP2C9TDP1ALDH1A1NPSR1PIK3CA | |
| SCHEMBL24102305 | 0.91 | ATM (0.47) | CYP2C9TDP1ALDH1A1NPSR1PIK3CA | |
| SCHEMBL24102555 | 0.91 | ALDH1A1 (0.58) | CYP2C9ALDH1A1NPSR1PIK3CANAMPT | |
| SCHEMBL29534989 | 0.91 | ATM (0.47) | CYP2C9TDP1ALDH1A1NPSR1PIK3CA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111285806-B | Pyrazole compound and preparation method, application and pharmaceutical composition thereof | 中国医学科学院药物研究所 | 2022-04-15 | — | — | CN | disclosed |