Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.46 |
| ▸ | PGR | P06401 | 5/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PRF1 | P14222 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29580859 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4EHSD17B10NR3C1 | |
| SCHEMBL28895199 | 0.76 | KDM4E (0.33) | ALDH1A1MAPTKDM4EHSD17B10GAA | |
| SCHEMBL29581246 | 0.76 | AR (0.36) | ALDH1A1 | |
| SCHEMBL29581802 | 0.76 | KDM4E (0.33) | ALDH1A1MAPTKDM4EHSD17B10GAA | |
| SCHEMBL28895119 | 0.76 | AR (0.36) | ALDH1A1 | |
| SCHEMBL15727795 | 0.75 | MKNK1 (0.46) | — | |
| SCHEMBL15727792 | 0.73 | PARP10 (0.51) | — | |
| SCHEMBL5558567 | 0.72 | MAPT (0.61) | ALDH1A1MAPTKDM4EHSD17B10LMNA | |
| SCHEMBL3624124 | 0.72 | MAPT (0.55) | ALDH1A1MAPTKDM4EHSD17B10NR3C1 | |
| SCHEMBL14177746 | 0.71 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4ENR3C1PGR |
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 |