Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30234849 | 0.77 | CYP2A6 (0.52) | BRD4CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL2186549 | 0.76 | LMNA (0.44) | HSD17B10ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL2186555 | 0.76 | LMNA (0.44) | HSD17B10ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL30979146 | 0.76 | LMNA (0.44) | HSD17B10ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL22360955 | 0.73 | LMNA (0.54) | ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL25288128 | 0.71 | CYP2A6 (0.58) | BRD4CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL1666706 | 0.71 | CYP2A6 (0.58) | BRD4CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL976904 | 0.71 | CYP2A6 (0.58) | BRD4CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL500715 | 0.70 | LMNA (0.56) | ALDH1A1KDM4ESMN1; SMN2LMNA | |
| Hydrogen Sulfide SCHEMBL21407995 | 0.69 | CYP2A6 (0.55) | BRD4CYP2A6HSD17B10ALDH5A1ABAT |
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-118684850-A | Thiazole-linked COF polymer producing H in photocatalysis2O2And use in antibiosis | 四川大学 | 2024-09-24 | — | — | CN | disclosed |