Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.31 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL25621681 | 0.89 | NPC1 (0.53) | NPC1GNAI3GNAO1GNAI1TMEM97 | |
| SCHEMBL25668002 | 0.82 | GBA1 (0.39) | NPC1GRIN1GRIN2BLTA4HHRH1 | |
| SCHEMBL21230439 | 0.82 | GBA1 (0.39) | NPC1GRIN1GRIN2BLTA4HHRH1 | |
| SCHEMBL13193523 | 0.82 | GBA1 (0.39) | NPC1GRIN1GRIN2BLTA4HHRH1 | |
| SCHEMBL25571582 | 0.80 | NPC1 (0.64) | NPC1LTA4HGNAI3GNAO1GNAI1 | |
| SCHEMBL25565671 | 0.79 | NPC1 (0.53) | NPC1CARM1PRMT6SIGMAR1PRMT8 | |
| SCHEMBL25134464 | 0.77 | NCF1 (0.39) | LTA4HGNAI3GNAO1GNAI1NCF1 | |
| SCHEMBL12912378 | 0.77 | CYP2D6 (0.48) | NPC1GRIN1GRIN2BLTA4HHRH1 | |
| SCHEMBL12449678 | 0.77 | KDM4E (0.49) | NPC1HRH3HRH1 | |
| SCHEMBL12829 | 0.77 | KDM4E (0.49) | NPC1HRH3HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |