Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 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 | |
|---|---|---|---|---|
| SCHEMBL5608294 | 0.87 | ALDH1A1 (0.50) | GLATHRBALDH1A1TSHR | |
| SCHEMBL1696546 | 0.87 | THRB (0.41) | NPSR1GLATHRBALDH1A1RXFP1 | |
| SCHEMBL15908879 | 0.87 | CYP17A1 (0.36) | NPSR1GLATHRBALDH1A1RXFP1 | |
| SCHEMBL13943334 | 0.86 | NPSR1 (0.40) | NPSR1GLATHRBALDH1A1TSHR | |
| SCHEMBL5608031 | 0.86 | NPSR1 (0.39) | NPSR1GLATHRBALDH1A1TSHR | |
| SCHEMBL26017392 | 0.85 | NPSR1 (0.43) | NPSR1GLATHRBALDH1A1TSHR | |
| SCHEMBL5608715 | 0.84 | THRB (0.42) | NPSR1GLATHRBALDH1A1TSHR | |
| SCHEMBL5608660 | 0.83 | MEN1 (0.46) | NPSR1GLATHRBALDH1A1 | |
| SCHEMBL19766897 | 0.83 | ALDH1A1 (0.48) | NPSR1ALDH1A1TSHRABL1RIN1 | |
| SCHEMBL163027 | 0.82 | NPSR1 (0.53) | NPSR1GLATHRBALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39744-E1 | Adamantane derivatives and process for producing them | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2007-07-24 | — | — | US | disclosed |
| US-6392104-B1 | CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-05-21 | — | — | US | disclosed |
| EP-0927711-A1 | ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM | Daicel Chemical Industries, Ltd. (JP) | 1999-07-07 | — | — | EP | disclosed |