Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.57 |
| ▸ | RAB9A | P51151 | 10/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.54 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29554583 | 0.85 | RAB9A (0.52) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL28915829 | 0.84 | NPC1 (0.61) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL29554919 | 0.82 | NPC1 (0.55) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL29554541 | 0.80 | NPC1 (0.52) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL28915808 | 0.80 | NPC1 (0.52) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL28916378 | 0.80 | NPC1 (0.52) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL9888370 | 0.77 | NPC1 (0.69) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL29555669 | 0.76 | SMN1; SMN2 (0.56) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL3502017 | 0.75 | KDR (0.72) | NPC1RAB9AALDH1A1PKML3MBTL1 | |
| SCHEMBL2243125 | 0.74 | NPC1 (1.00) | NPC1RAB9AALDH1A1PKML3MBTL1 |
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-114409632-A | 2-substituted amino-3-benzimidazole substituted quinoline derivative and preparation method and application thereof | 广西师范大学 | 2022-04-29 | — | — | CN | disclosed |