Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5608925 | 0.87 | THRB (0.42) | ALDH1A1THRBGLANAAADPP8 | |
| SCHEMBL5608715 | 0.86 | THRB (0.42) | ALDH1A1THRBGLANAAALMNA | |
| SCHEMBL5608713 | 0.86 | THRB (0.34) | ALDH1A1THRBGLANAAA | |
| SCHEMBL5608324 | 0.84 | MEN1 (0.45) | ALDH1A1THRBGLAKMT2ANAAA | |
| SCHEMBL5608294 | 0.83 | ALDH1A1 (0.50) | ALDH1A1THRBPKML3MBTL1GLA | |
| SCHEMBL5607877 | 0.82 | ALDH1A1 (0.49) | ALDH1A1THRBPKML3MBTL1GLA | |
| SCHEMBL5607937 | 0.81 | DPP8 (0.39) | ALDH1A1THRBPKMNAAADPP8 | |
| SCHEMBL5608429 | 0.81 | THRB (0.41) | ALDH1A1THRBGLANAAADPP8 | |
| SCHEMBL5607976 | 0.79 | NAAA (0.51) | ALDH1A1L3MBTL1GLAKMT2ANAAA | |
| SCHEMBL5608146 | 0.79 | POLB (0.41) | ALDH1A1THRBPKMNAAALMNA |
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 |