Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL893232 | 1.00 | ALDH1A1 (0.36) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL892736 | 0.96 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL893375 | 0.96 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL3957944 | 0.96 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL893554 | 0.96 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL9307017 | 0.96 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL20455768 | 0.96 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL552393 | 0.95 | ALDH1A1 (0.39) | ALDH1A1KMT2ATHRBMEN1TSHR | |
| SCHEMBL25180643 | 0.91 | ALDH1A1 (0.36) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL893642 | 0.91 | ALDH1A1 (0.36) | ALDH1A1HSD17B10HSD11B1CES2CES1 |
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-116003239-B | Bicyclic diterpenoid derivative, preparation method and application thereof | 上海中医药大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-116003239-A | Bicyclic diterpenoid derivative, preparation method and application thereof | 上海中医药大学 | 2023-04-25 | — | — | CN | disclosed |