Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL29099605 | 0.82 | GPR52 (0.32) | GPR52NPC1ALDH1A1MAPTHPGD | |
| SCHEMBL30185550 | 0.82 | GPR52 (0.32) | GPR52NPC1ALDH1A1MAPTHPGD | |
| SCHEMBL30185559 | 0.77 | MPL (0.39) | GPR52NPC1ALDH1A1MAPTHPGD | |
| SCHEMBL24023265 | 0.67 | PIK3CA (0.31) | — | |
| SCHEMBL3085308 | 0.66 | PIK3CD (0.52) | NPC1ALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL24023268 | 0.65 | MEN1 (0.33) | TSHRNPC1ALDH1A1MAPTHPGD | |
| SCHEMBL14302479 | 0.64 | SMN1; SMN2 (0.36) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL24023331 | 0.64 | ALDH1A1 (0.36) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3086729 | 0.64 | ALDH1A1 (0.36) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL24023393 | 0.64 | PIK3CA (0.48) | — |
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 |