Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | HPGD | P15428 | 6/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.67 |
| ▸ | MEN1 | O00255 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | POLB | P06746 | 5/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.58 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL30636140 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL30636144 | 0.84 | KMT2A (0.72) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL28677555 | 0.84 | KMT2A (0.72) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL25680296 | 0.82 | HPGD (0.66) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL30636138 | 0.81 | KMT2A (0.66) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL28681127 | 0.81 | KMT2A (0.66) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL30636113 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL28693635 | 0.80 | ALDH1A1 (1.00) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL28691090 | 0.78 | NPC1 (0.60) | ALDH1A1HPGDKMT2AKDM4EMEN1 | |
| SCHEMBL4919617 | 0.78 | MEN1 (0.65) | ALDH1A1HPGDKMT2AKDM4EMEN1 |
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-113861186-B | Isoxazole-based substituted benzamide derivative and application of anti-prostate cancer drug | 浙江师范大学 | 2023-08-25 | — | — | CN | disclosed |
| CN-113861186-A | Isoxazole-based substituted benzamide derivative and application of anti-prostate cancer drug | 浙江师范大学 | 2021-12-31 | — | — | CN | disclosed |