Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL31409141 | 0.95 | ALDH1A1 (0.55) | RAB9ANPC1PKMABCB1ALDH1A1 | |
| SCHEMBL31409136 | 0.86 | RAB9A (0.47) | RAB9ANPC1PKMGAAKMT2A | |
| SCHEMBL8782404 | 0.83 | NPC1 (0.51) | RAB9ANPC1PKMALDH1A1GAA | |
| SCHEMBL1997854 | 0.81 | L3MBTL1 (0.56) | ALDH1A1ABATGAAKMT2AKDM4E | |
| SCHEMBL29975007 | 0.81 | L3MBTL1 (0.56) | ALDH1A1ABATGAAKMT2AKDM4E | |
| SCHEMBL31409139 | 0.80 | HSD11B1 (0.49) | RAB9ANPC1ALDH1A1GAAKMT2A | |
| SCHEMBL31409122 | 0.78 | KMT2A (0.53) | RAB9ANPC1PKMALDH1A1GAA | |
| SCHEMBL6124201 | 0.76 | TSHR (0.53) | RAB9ANPC1ALDH1A1GAAKMT2A | |
| SCHEMBL15841547 | 0.75 | GFER (0.60) | ALDH1A1ABATKMT2AMAPTTSHR | |
| SCHEMBL15841548 | 0.75 | GFER (0.60) | ALDH1A1ABATKMT2AMAPTTSHR |
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-119506909-A | Method for electrochemically synthesizing 3, 4-dihydro-isoquinoline-1 (2H) -ketone compound | 宜宾学院 | 2025-02-25 | — | — | CN | disclosed |