Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | HSD11B2 | P80365 | 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 | |
|---|---|---|---|---|
| SCHEMBL5608552 | 0.88 | NPSR1 (0.33) | ALDH1A1GLA | |
| SCHEMBL5608294 | 0.85 | ALDH1A1 (0.50) | ALDH1A1GLAKMT2AITGB1ITGA4 | |
| SCHEMBL5607904 | 0.83 | ALDH1A1 (0.36) | ALDH1A1PKML3MBTL1 | |
| SCHEMBL5608713 | 0.82 | THRB (0.34) | ALDH1A1GLA | |
| SCHEMBL5608441 | 0.79 | DPP4 (0.31) | — | |
| SCHEMBL7630280 | 0.78 | GRIN1 (0.37) | — | |
| SCHEMBL6561521 | 0.78 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL5608031 | 0.77 | NPSR1 (0.39) | ALDH1A1GLA | |
| SCHEMBL26059783 | 0.77 | ALDH1A1 (0.32) | ALDH1A1PKML3MBTL1 | |
| SCHEMBL5607961 | 0.76 | DPP4 (0.34) | — |
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 |