Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | MAPT | P10636 | 10/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 7/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28618426 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MAPTGAATDP1RAB9A | |
| SCHEMBL28611349 | 0.92 | NPC1 (0.48) | ALDH1A1MAPTGAARAB9ANPC1 | |
| SCHEMBL28611345 | 0.92 | NPC1 (0.48) | ALDH1A1MAPTGAARAB9ANPC1 | |
| SCHEMBL28604026 | 0.88 | KMT2A (0.48) | ALDH1A1MAPTGAATDP1RAB9A | |
| SCHEMBL28598732 | 0.88 | KMT2A (0.48) | ALDH1A1MAPTGAATDP1RAB9A | |
| SCHEMBL28604029 | 0.88 | KMT2A (0.48) | ALDH1A1MAPTGAATDP1RAB9A | |
| SCHEMBL28598734 | 0.88 | KMT2A (0.48) | ALDH1A1MAPTGAATDP1RAB9A | |
| SCHEMBL28606163 | 0.86 | GAA (0.54) | ALDH1A1MAPTGAATDP1RAB9A | |
| SCHEMBL28603846 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPTGAARAB9ANPC1 | |
| SCHEMBL28603850 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPTGAARAB9ANPC1 |
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-108503600-B | Polysubstituted quinoxaline derivative and preparation method thereof | 华侨大学 | 2021-08-03 | — | — | CN | disclosed |