Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 3/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30185573 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTKDM4EMAPK1LMNA | |
| SCHEMBL30935225 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTKDM4EMAPK1LMNA | |
| SCHEMBL29099596 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTKDM4EMAPK1LMNA | |
| SCHEMBL29099498 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPTKDM4EMAPK1LMNA | |
| SCHEMBL29867506 | 0.86 | NPC1 (0.48) | ALDH1A1MAPTKDM4EMAPK1LMNA | |
| SCHEMBL23124816 | 0.85 | NQO2 (0.49) | ALDH1A1MAPTRAB9AGAAPOLB | |
| SCHEMBL15280988 | 0.85 | CES2 (0.49) | ALDH1A1MAPTKDM4ELMNATSHR | |
| SCHEMBL23124814 | 0.85 | NQO2 (0.49) | ALDH1A1MAPTRAB9AGAAPOLB | |
| SCHEMBL1274890 | 0.84 | MAPT (0.47) | ALDH1A1MAPTMAPK1LMNATSHR | |
| SCHEMBL1274891 | 0.84 | MAPT (0.47) | ALDH1A1MAPTMAPK1LMNATSHR |
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-115611883-A | PI3K alpha inhibitor with bicyclic structure and preparation method and application thereof | 生物岛实验室 | 2023-01-17 | — | — | CN | disclosed |