Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5865895 | 0.86 | MLYCD (0.59) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9770874 | 0.82 | ALDH1A1 (0.48) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6687329 | 0.82 | ALDH1A1 (0.57) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL3128806 | 0.80 | ALDH1A1 (0.55) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1628100 | 0.79 | ALDH1A1 (0.59) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL3971183 | 0.78 | ALDH1A1 (0.57) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4009058 | 0.78 | ALDH1A1 (0.57) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL13175610 | 0.77 | ALDH1A1 (0.52) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL13175931 | 0.77 | ALDH1A1 (0.52) | ALDH1A1PLK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29137247 | 0.77 | CA2 (0.64) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA |
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-117326923-A | Fluorine-containing dihydronaphthalenone derivative and preparation method and application thereof | 上海应用技术大学 | 2024-01-02 | — | — | CN | disclosed |