Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22554275 | 1.00 | NPC1 (0.44) | NPC1AKR1C3ALDH1A1HRH3HRH1 | |
| SCHEMBL30731090 | 1.00 | NPC1 (0.44) | NPC1AKR1C3ALDH1A1HRH3HRH1 | |
| SCHEMBL22553863 | 0.85 | NPC1 (0.48) | NPC1AKR1C3ALDH1A1IDO1GAA | |
| SCHEMBL22554161 | 0.77 | PDGFRB (0.43) | NPC1AKR1C3ALDH1A1HRH3HRH1 | |
| SCHEMBL22553839 | 0.75 | NPC1 (0.48) | NPC1ALDH1A1IDO1SMN1; SMN2HPGD | |
| SCHEMBL16914120 | 0.74 | HSD17B10 (0.49) | NPC1ALDH1A1IDO1HTR6ALOX5AP | |
| SCHEMBL30730798 | 0.74 | CDK8 (0.38) | AKR1C3ALDH1A1HRH3HRH1HTR6 | |
| SCHEMBL22553813 | 0.74 | CNR2 (0.38) | NPC1AKR1C3ALDH1A1HRH3HRH1 | |
| SCHEMBL22554214 | 0.74 | CDK8 (0.38) | AKR1C3ALDH1A1HRH3HRH1HTR6 | |
| SCHEMBL30730848 | 0.74 | CNR2 (0.38) | NPC1AKR1C3ALDH1A1HRH3HRH1 |
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-112088157-B | Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors | 拉文纳制药公司 | 2023-12-26 | — | — | CN | disclosed |