Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 9/20 | 0.54 |
| ▸ | RAB9A | P51151 | 9/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | AR | P10275 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28248377 | 0.95 | RAB9A (0.53) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL13729402 | 0.94 | RAB9A (0.51) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL29457610 | 0.94 | RAB9A (0.51) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL31354840 | 0.93 | RAB9A (0.50) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL21359812 | 0.93 | RAB9A (0.50) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL31619486 | 0.93 | RAB9A (0.50) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL17600565 | 0.93 | RAB9A (0.50) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL30524538 | 0.93 | RAB9A (0.50) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL28831219 | 0.93 | RAB9A (0.50) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL29924645 | 0.93 | RAB9A (0.50) | DHODHNPC1RAB9AMEN1KMT2A |
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-117843568-A | Aralkyl substituted-1-methylquinoline quaternary ammonium salt derivative and preparation method and application thereof | 中国药科大学 | 2024-04-09 | — | — | CN | disclosed |