Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | PRKX | P51817 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1444788 | 1.00 | NPC1 (0.51) | NPC1CHRNA7L3MBTL1CASP3SENP8 | |
| SCHEMBL29857433 | 0.86 | NPC1 (0.60) | NPC1CHRNA7L3MBTL1CASP3SENP8 | |
| SCHEMBL19817233 | 0.86 | NPC1 (0.60) | NPC1CHRNA7L3MBTL1CASP3SENP8 | |
| SCHEMBL5410007 | 0.86 | KMO (0.49) | NPC1CHRNA7L3MBTL1CASP3SENP8 | |
| SCHEMBL6726783 | 0.80 | KMO (0.58) | NPC1L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL5415927 | 0.79 | PIM1 (0.40) | NPC1L3MBTL1CASP3SENP8SENP7 | |
| SCHEMBL28001139 | 0.78 | ASIC3 (0.56) | NPC1CHRNA7L3MBTL1CASP3SENP8 | |
| SCHEMBL1415582 | 0.78 | CLK4 (0.45) | NPC1L3MBTL1MAP4K4CLK4CDC7 | |
| SCHEMBL1445161 | 0.78 | MIF (0.56) | NPC1CHRNA7L3MBTL1CASP3SENP8 | |
| SCHEMBL603189 | 0.77 | CYP1A2 (0.61) | MAP4K4CLK4CDC7DAPK3PIM1 |
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-109790146-B | Pharmaceutical compounds | 阿尔麦克探索有限公司 | 2022-08-23 | — | — | CN | disclosed |