Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30620479 | 0.86 | GSK3B (0.40) | ACHEPTGS2ALDH1A1KMT2AKDM4E | |
| SCHEMBL30620481 | 0.86 | MAT2A (0.42) | ALDH1A1KMT2AHPGDKDM4EHSD17B10 | |
| SCHEMBL30620478 | 0.86 | ACHE (0.36) | ACHEPTGS2PTGS1ALDH1A1KMT2A | |
| SCHEMBL30620491 | 0.83 | PTGS2 (0.36) | PTGS2ALDH1A1KMT2AHPGDMEN1 | |
| SCHEMBL30620498 | 0.83 | ALDH1A1 (0.37) | PTGS2PTGS1ALDH1A1KMT2AKDM4E | |
| SCHEMBL30620489 | 0.83 | ACHE (0.39) | ACHEPTGS2PTGS1ALDH1A1KMT2A | |
| SCHEMBL30620495 | 0.80 | KIF11 (0.37) | MAPTCYP1A2CYP3A4GAACYP2C9 | |
| SCHEMBL30620490 | 0.79 | MEN1 (0.41) | ACHEALDH1A1KMT2AKDM4EHSD17B10 | |
| SCHEMBL30620484 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KMT2AHPGDMAPTHTT | |
| SCHEMBL1470672 | 0.72 | ACHE (0.61) | ACHEPTGS2MAOBALDH1A1HPGD |
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-116789598-A | 3-alkenyl isoquinoline 2-oxide compound and preparation method thereof | 广州大学 | 2023-09-22 | — | — | CN | disclosed |