Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | FBP1 | P09467 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24102311 | 1.00 | RAB9A (0.47) | RAB9AFBP1PIK3CANAMPTNPC1 | |
| SCHEMBL24102498 | 0.92 | EGFR (0.50) | RAB9APIK3CANAMPTNPC1EGFR | |
| SCHEMBL29535886 | 0.92 | EGFR (0.50) | RAB9APIK3CANAMPTNPC1EGFR | |
| SCHEMBL29534859 | 0.90 | CYP2C9 (0.53) | RAB9APIK3CANAMPTROCK2MEN1 | |
| SCHEMBL24102289 | 0.90 | CYP2C9 (0.53) | RAB9APIK3CANAMPTROCK2MEN1 | |
| SCHEMBL24102242 | 0.86 | NAMPT (0.51) | RAB9APIK3CANAMPTNPC1EGFR | |
| SCHEMBL24102436 | 0.86 | PIK3CA (0.48) | RAB9APIK3CANAMPTNPC1ROCK2 | |
| SCHEMBL24102302 | 0.86 | SMN1; SMN2 (0.53) | RAB9APIK3CANAMPTNPC1ROCK2 | |
| SCHEMBL24102469 | 0.85 | PIK3CA (0.45) | RAB9APIK3CANAMPTNPC1ROCK2 | |
| SCHEMBL24102318 | 0.85 | RAB9A (0.52) | RAB9APIK3CANPC1ROCK2MEN1 |
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 |