Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 1/20 | 0.51 |
| ▸ | EED | O75530 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.44 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30109408 | 0.89 | ALDH1A1 (0.54) | LIPEEEDNPC1MAPK1PRMT5 | |
| SCHEMBL30109340 | 0.87 | LIPE (0.58) | LIPEEEDNAMPTNPC1MEN1 | |
| SCHEMBL6374745 | 0.84 | LIPE (0.55) | LIPEEEDNAMPTNPC1MEN1 | |
| SCHEMBL17869278 | 0.84 | NPC1 (0.58) | LIPENPC1MEN1KMT2AMAPT | |
| SCHEMBL3509438 | 0.80 | ALDH1A1 (0.43) | NPC1MEN1KMT2AMAPTPKM | |
| SCHEMBL30109452 | 0.79 | MEN1 (0.62) | EEDGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL30109402 | 0.79 | ALDH1A1 (0.52) | LIPENAMPTNPC1MEN1KMT2A | |
| SCHEMBL14158144 | 0.76 | ESR1 (0.54) | LIPENPC1ALDH1A1NOTUM | |
| SCHEMBL17113102 | 0.76 | GRIN2D (0.53) | LIPEGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL30109558 | 0.76 | PRMT5 (0.54) | LIPEGRIN2DGRIN3BGRIN1GRIN2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115557889-A | 2-aryl-3, 4-dihydroisoquinoline derivative and application thereof in preparing antitumor drugs | 西南交通大学 | 2023-01-03 | — | — | CN | claimed |
| CN-115557889-A | 2-aryl-3, 4-dihydroisoquinoline derivative and application thereof in preparing antitumor drugs | 西南交通大学 | 2023-01-03 | — | — | CN | disclosed |