Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL5889676 | 0.84 | NPC1 (0.47) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL5680354 | 0.82 | NPC1 (0.45) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL1298878 | 0.81 | NPC1 (0.52) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL7258024 | 0.81 | NPC1 (0.44) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL26106290 | 0.81 | NPC1 (0.44) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL14099809 | 0.81 | NPC1 (0.44) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL20644785 | 0.81 | AR (0.46) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL8866941 | 0.80 | NPC1 (0.43) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL1844676 | 0.80 | NPC1 (0.43) | NPC1MAPTPOLBNOD2NOD1 | |
| SCHEMBL1844219 | 0.80 | AR (0.46) | NPC1MAPTNOD2NOD1AR |
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-2023288242-A1 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |