Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
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 | 0.88 | GSK3B (0.40) | ALDH1A1PTGS2KMT2AMEN1TP53 | |
| SCHEMBL30620478 | 0.88 | ACHE (0.36) | ALDH1A1PTGS2KMT2AKDM4ELMNA | |
| SCHEMBL30620489 | 0.86 | ACHE (0.39) | ALDH1A1PTGS2CASP3SENP8SENP7 | |
| SCHEMBL30620491 | 0.86 | PTGS2 (0.36) | ALDH1A1PTGS2KMT2AMEN1LMNA | |
| SCHEMBL30620485 | 0.83 | ACHE (0.41) | ALDH1A1PTGS2KMT2AMEN1HIF1A | |
| SCHEMBL30620495 | 0.82 | KIF11 (0.37) | CYP1A2GAAMAPT | |
| SCHEMBL30620490 | 0.81 | MEN1 (0.41) | ALDH1A1KMT2AMEN1CYP1A2KDM4E | |
| SCHEMBL30620484 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KMT2AMAPTBRD4POLB | |
| SCHEMBL30620492 | 0.77 | MAP2 (0.33) | ALDH1A1PTGS2CYP1A2PTGS1BRD4 | |
| SCHEMBL30620486 | 0.76 | ALDH1A1 (0.38) | ALDH1A1PTGS2KMT2AMEN1TP53 |
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 |