Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PRF1 | P14222 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28895242 | 0.99 | CYP1A2 (0.49) | CYP1A2ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL28895136 | 0.97 | CYP1A2 (0.47) | CYP1A2ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL28895325 | 0.90 | MAPT (0.43) | CYP1A2ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL28895295 | 0.87 | MAPT (0.44) | ALDH1A1MAPTKDM4EGAAHSD17B10 | |
| SCHEMBL28895297 | 0.85 | MAPT (0.41) | ALDH1A1MAPTKDM4EGAAHSD17B10 | |
| SCHEMBL29580770 | 0.77 | CYP1A2 (0.41) | CYP1A2ALDH1A1GAAPOLB | |
| SCHEMBL28895109 | 0.77 | CYP1A2 (0.41) | CYP1A2ALDH1A1GAAJAK2JAK1 | |
| SCHEMBL28895284 | 0.77 | CYP1A2 (0.41) | CYP1A2ALDH1A1GAAPOLB | |
| SCHEMBL12456438 | 0.74 | CYP1A2 (0.47) | CYP1A2GAAJAK2JAK1 | |
| SCHEMBL5558567 | 0.70 | MAPT (0.61) | ALDH1A1MAPTKDM4EGAAHSD17B10 |
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-114315805-A | Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-12 | — | — | CN | disclosed |