Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.72 |
| ▸ | NPC1 | O15118 | 8/20 | 0.72 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.66 |
| ▸ | HPGD | P15428 | 3/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | CASP1 | P29466 | 1/20 | 0.63 |
| ▸ | CASP7 | P55210 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | CASP3 | P42574 | 1/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.62 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.62 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL28888411 | 0.87 | RAB9A (0.67) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL28393627 | 0.87 | SMN1; SMN2 (0.71) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL28396749 | 0.83 | MEN1 (0.62) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL28393056 | 0.83 | SMN1; SMN2 (0.60) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL28390817 | 0.82 | SMN1; SMN2 (0.54) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL28518078 | 0.81 | PKM (0.69) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL3584407 | 0.79 | SMN1; SMN2 (0.80) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL3582251 | 0.78 | SMN1; SMN2 (1.00) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL23742075 | 0.78 | SMN1; SMN2 (0.77) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 | |
| SCHEMBL16607174 | 0.78 | ALDH1A1 (0.75) | ALDH1A1NPC1RXFP1NPSR1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111138377-A | Vanilamide derivative and preparation method and application thereof | 长沙理工大学 | 2020-05-12 | — | — | CN | claimed |
| CN-111138377-B | Vanilamide derivative and preparation method and application thereof | 长沙理工大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-111138377-A | Vanilamide derivative and preparation method and application thereof | 长沙理工大学 | 2020-05-12 | — | — | CN | disclosed |