Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | DHODH | Q02127 | 2/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 5/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30940294 | 0.85 | PIK3CA (0.37) | SRD5A1DHODHCDK2PIK3CA | |
| SCHEMBL30940312 | 0.84 | DHODH (0.34) | SRD5A1DHODHMAPK14ALDH1A1CDK2 | |
| SCHEMBL30940290 | 0.83 | PIK3CA (0.39) | SRD5A1DHODHMAPK14CDK2PIK3CA | |
| SCHEMBL31145064 | 0.81 | MAOB (0.34) | MAOBESR1ESR2CDK2CDK1 | |
| SCHEMBL31284512 | 0.74 | MAPKAPK2 (0.33) | — | |
| SCHEMBL30940286 | 0.73 | PIK3CA (0.65) | PIK3CA | |
| SCHEMBL31145023 | 0.68 | RAB9A (0.40) | MEN1ALDH1A1HPGDKMT2APIK3CA | |
| SCHEMBL31145015 | 0.68 | MAOB (0.38) | MAOBMAPK14ALDH1A1HPGDESR1 | |
| SCHEMBL31285230 | 0.67 | MAPK14 (0.36) | MAPK14 | |
| SCHEMBL31284722 | 0.67 | CES1 (0.38) | MAOBALDH1A1HPGDKMT2ATP53 |
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-118791498-A | Tetracyclic compound, preparation method thereof and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2024-10-18 | — | — | CN | disclosed |
| CN-118359631-A | Polycyclic PI3K alpha inhibitors | 轩竹生物科技股份有限公司 | 2024-07-19 | — | — | CN | disclosed |