Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CFTR | P13569 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.44 |
| ▸ | TUBB | P07437 | 2/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14812308 | 0.88 | GAA (0.54) | GAASLC6A4SLC6A3ABCB1ALDH1A1 | |
| SCHEMBL9705197 | 0.86 | GAA (0.65) | GAAABCB1ALDH1A1CFTRHSD17B10 | |
| SCHEMBL30949650 | 0.84 | CYP46A1 (0.55) | SLC6A4SLC6A3ALDH1A1HSD17B10KMT2A | |
| SCHEMBL12192433 | 0.84 | ALDH1A1 (0.51) | GAASLC6A4SLC6A3ALDH1A1HSD17B10 | |
| SCHEMBL27324419 | 0.82 | SLC6A3 (0.65) | GAASLC6A4SLC6A3ALDH1A1CFTR | |
| SCHEMBL30876354 | 0.82 | SLC6A3 (0.65) | GAASLC6A4SLC6A3ALDH1A1CFTR | |
| SCHEMBL5099640 | 0.82 | GAA (0.50) | GAASLC6A4SLC6A3ABCB1ALDH1A1 | |
| SCHEMBL28203777 | 0.82 | GAA (0.54) | GAAALDH1A1CFTRKMT2ANPC1 | |
| SCHEMBL25381631 | 0.82 | CFTR (0.47) | GAASLC6A4SLC6A3ABCB1ALDH1A1 | |
| SCHEMBL2313764 | 0.81 | ALDH1A1 (0.46) | SLC6A4SLC6A3ALDH1A1HSD17B10KMT2A |
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-114349715-A | Novel triazole naphthoquinone aryl (hetero) ring derivative and preparation method and application thereof | 四川大学 | 2022-04-15 | — | — | CN | disclosed |