Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 2/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4035480 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CSNK2A1CYP2A6ALDH1A3KDM4E | |
| SCHEMBL30185446 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CSNK2A1CYP2A6ALDH1A3KDM4E | |
| SCHEMBL13638172 | 0.87 | ALDH1A1 (0.53) | ALDH1A1ALDH1A3MEN1NPC1KMT2A | |
| SCHEMBL8176964 | 0.85 | ALDH1A1 (0.55) | ALDH1A1CSNK2A1CYP2A6ALDH1A3KDM4E | |
| SCHEMBL30679643 | 0.84 | ALDH1A1 (0.50) | ALDH1A1ALDH1A3MEN1NPC1KMT2A | |
| SCHEMBL35967 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| SCHEMBL4887408 | 0.81 | ALDH5A1 (0.52) | ALDH1A1ALDH1A3KDM4EVCAM1HSD17B10 | |
| SCHEMBL25613984 | 0.81 | ALDH1A1 (0.55) | ALDH1A1ALDH1A3MEN1KMT2AVCAM1 | |
| SCHEMBL8759091 | 0.81 | CSNK2A1 (0.49) | ALDH1A1CSNK2A1CYP2A6NPC1HSD17B10 | |
| SCHEMBL5490742 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP2A6KDM4EMEN1NPC1 |
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-107619433-B | Glycopeptide derivative and pharmaceutically acceptable salt, preparation method and application thereof | 上海来益生物药物研究开发中心有限责任公司 | 2023-03-17 | — | — | CN | disclosed |
| CN-107619432-B | Glycopeptide derivative and pharmaceutically acceptable salt, preparation method and application thereof | 上海来益生物药物研究开发中心有限责任公司 | 2023-03-17 | — | — | CN | disclosed |