Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5607848 | 0.87 | NPSR1 (0.40) | ALDH1A1GLATHRBTSHR | |
| SCHEMBL5608031 | 0.86 | NPSR1 (0.39) | ALDH1A1GLATHRBGAATSHR | |
| SCHEMBL5608698 | 0.85 | ALDH1A1 (0.38) | ALDH1A1PKML3MBTL1KMT2AGLA | |
| SCHEMBL5607877 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PKML3MBTL1KMT2AGLA | |
| SCHEMBL5608660 | 0.83 | MEN1 (0.46) | ALDH1A1KMT2AGLATHRBGAA | |
| SCHEMBL7748923 | 0.83 | ALDH1A1 (0.47) | ALDH1A1PKML3MBTL1KMT2AGLA | |
| SCHEMBL13943335 | 0.83 | ALDH1A1 (0.42) | ALDH1A1PKML3MBTL1KMT2ATHRB | |
| SCHEMBL5607434 | 0.83 | ALDH1A1 (0.46) | ALDH1A1PKML3MBTL1KMT2AGLA | |
| SCHEMBL15908879 | 0.81 | CYP17A1 (0.36) | ALDH1A1KMT2AGLATHRB | |
| SCHEMBL10151110 | 0.80 | ALDH1A1 (0.40) | ALDH1A1PKML3MBTL1KMT2ATHRB |
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 |