Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL2111676 | 0.84 | IDO1 (0.35) | — | |
| SCHEMBL139764 | 0.84 | NPBWR1 (0.33) | TSHR | |
| SCHEMBL3679833 | 0.84 | PNMT (0.35) | OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL29393805 | 0.84 | NPBWR1 (0.33) | TSHR | |
| SCHEMBL139734 | 0.82 | GABRA1 (0.36) | MAPTGABRA1GABRB2TSHRNISCH | |
| SCHEMBL1492149 | 0.77 | ATM (0.35) | MAPTL3MBTL1ATMPOLB | |
| SCHEMBL23295737 | 0.76 | THRB (0.38) | MAPTADRA2AADRA2BADRA2CTSHR | |
| SCHEMBL6672069 | 0.76 | SLC6A2 (0.35) | MAPTL3MBTL1NPSR1ADRA2AADRA2B | |
| SCHEMBL10711381 | 0.75 | — | — | |
| SCHEMBL9480548 | 0.75 | CHRM2 (0.45) | MAPTNPSR1TSHRCYP3A4CYP2D6 |
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-114144388-A | Systems and methods for manufacturing water-based hydrophobic aerogels and aerogel composites | 克罗斯林克私人有限公司 | 2022-03-04 | — | — | CN | disclosed |