Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL15449151 | 0.88 | PKM (0.48) | ALDH1A1TSHRGAAPKM | |
| SCHEMBL18469153 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRGAAPKMHSD17B10 | |
| SCHEMBL21470449 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRGAAPKMHSD17B10 | |
| SCHEMBL5607968 | 0.86 | ALDH1A1 (0.44) | ALDH1A1TSHRGAA | |
| SCHEMBL5608031 | 0.85 | NPSR1 (0.39) | ALDH1A1TSHRGAALMNA | |
| SCHEMBL5608515 | 0.84 | DPP4 (0.40) | ALDH1A1TSHRGAALMNAPKM | |
| SCHEMBL1696549 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRGAAPKM | |
| SCHEMBL21262868 | 0.81 | ALDH1A1 (0.35) | ALDH1A1TSHRGAAPKM | |
| SCHEMBL25499083 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TSHRGAAPKM | |
| SCHEMBL14858717 | 0.80 | ALDH1A1 (0.41) | ALDH1A1GAALMNA |
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 |