Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23168750 | 0.77 | MET (0.45) | STAT3POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL23168740 | 0.74 | NPC1 (0.46) | NPC1STAT3NPSR1ESR1ESR2 | |
| SCHEMBL23168720 | 0.69 | THRA (0.55) | — | |
| SCHEMBL5104501 | 0.67 | ESR1 (0.72) | NPC1STAT3NPSR1ESR1ESR2 | |
| SCHEMBL3870839 | 0.66 | ALDH1A1 (0.66) | NPSR1MEN1KMT2AALDH1A1ALDH2 | |
| SCHEMBL24822268 | 0.63 | PTGS2 (0.40) | ALDH1A1PTGS2GAA | |
| SCHEMBL29821560 | 0.63 | NR4A1 (0.40) | POLBALDH1A1PTGDR2PTGS2KDM4E | |
| SCHEMBL19317172 | 0.62 | ESR1 (0.69) | NPC1STAT3NPSR1ESR1ESR2 | |
| SCHEMBL15815327 | 0.62 | PDE4B (0.64) | ALDH1A1PTGDR2PDE4BPTGS2PDE4A | |
| SCHEMBL23297311 | 0.62 | MEN1 (0.66) | STAT3NPSR1POLBMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021057791-A1 | CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF | 广东东阳光药业有限公司 | 2021-04-01 | — | — | WO | disclosed |