Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | EED | O75530 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6374745 | 0.96 | LIPE (0.55) | LIPENPC1RAB9AALDH1A1NAMPT | |
| SCHEMBL30109397 | 0.87 | LIPE (0.51) | LIPENPC1ALDH1A1NAMPTKMT2A | |
| SCHEMBL17869278 | 0.85 | NPC1 (0.58) | LIPENPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL30109408 | 0.85 | ALDH1A1 (0.54) | LIPENPC1RAB9AALDH1A1EED | |
| SCHEMBL28459399 | 0.84 | RAB9A (0.79) | NPC1RAB9AALDH1A1NAMPTKMT2A | |
| SCHEMBL14158144 | 0.83 | ESR1 (0.54) | LIPENPC1RAB9AALDH1A1 | |
| SCHEMBL30109424 | 0.82 | MEN1 (0.57) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL16061897 | 0.82 | MEN1 (0.57) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL19284497 | 0.81 | ALDH1A1 (0.49) | LIPENPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL30109434 | 0.81 | TSHR (0.50) | NPC1RAB9AALDH1A1KMT2AMEN1 |
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 |