Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 7/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 7/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 7/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 6/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27596281 | 0.86 | ALDH1A1 (0.35) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL28471407 | 0.81 | CSNK2A2 (0.50) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL30771800 | 0.81 | PTPN1 (0.47) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL29597364 | 0.80 | SIRT2 (0.46) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL26107128 | 0.75 | HPGD (0.40) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL31251430 | 0.75 | HPGD (0.40) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL26105951 | 0.75 | HPGD (0.38) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL28263226 | 0.73 | LMNA (0.47) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL2463440 | 0.73 | MAOB (0.45) | ESR1ESR2MAOBCYP1A2CYP3A4 | |
| SCHEMBL24252460 | 0.73 | HTR2A (0.32) | — |
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-118359631-A | Polycyclic PI3K alpha inhibitors | 轩竹生物科技股份有限公司 | 2024-07-19 | — | — | CN | disclosed |