Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL928494 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HIF1AHSD17B10CYP1B1EPHX2 | |
| SCHEMBL27074502 | 0.79 | HPRT1 (0.54) | ALDH1A1HIF1AHSD17B10CYP1B1EPHX2 | |
| SCHEMBL28261274 | 0.76 | ALDH1A1 (0.57) | ALDH1A1HIF1AHSD17B10CYP1B1NPC1 | |
| SCHEMBL23664 | 0.74 | ALDH1A1 (0.72) | ALDH1A1HIF1AHSD17B10CYP1B1CYP1A2 | |
| SCHEMBL4853659 | 0.74 | ALDH1A1 (0.72) | ALDH1A1HIF1AHSD17B10CYP1B1CYP1A2 | |
| SCHEMBL29532882 | 0.74 | ALDH1A1 (0.72) | ALDH1A1HIF1AHSD17B10CYP1B1CYP1A2 | |
| SCHEMBL4848746 | 0.74 | ALDH1A1 (0.72) | ALDH1A1HIF1AHSD17B10CYP1B1CYP1A2 | |
| SCHEMBL24753986 | 0.74 | CYP1A2 (0.41) | ALDH1A1HSD17B10NPC1RAB9ABRD4 | |
| SCHEMBL29321861 | 0.74 | TYMS (0.33) | BRD4 | |
| SCHEMBL24302562 | 0.74 | NPC1 (0.38) | ALDH1A1HIF1AHSD17B10EPHX2NPC1 |
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-111704630-A | 3-arylformyl naphtho-isoxazole or 3-arylformyl anthraceno-isoxazole derivative and synthetic method thereof | 上海大学 | 2020-09-25 | — | — | CN | claimed |
| CN-111704630-A | 3-arylformyl naphtho-isoxazole or 3-arylformyl anthraceno-isoxazole derivative and synthetic method thereof | 上海大学 | 2020-09-25 | — | — | CN | disclosed |