Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 3/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 4/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL6452912 | 1.00 | GRIN1 (0.32) | GRIN1GRIN2BNAAACTSKKDM1A | |
| SCHEMBL6451140 | 0.92 | CYP2C9 (0.34) | NAAACTSK | |
| SCHEMBL6451142 | 0.92 | CYP2C9 (0.34) | NAAACTSK | |
| SCHEMBL6455978 | 0.91 | CTSK (0.39) | GRIN1GRIN2BNAAACTSKKDM1A | |
| SCHEMBL6455969 | 0.91 | CTSK (0.39) | GRIN1GRIN2BNAAACTSKKDM1A | |
| SCHEMBL6460102 | 0.90 | KDM1A (0.31) | KDM1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6460107 | 0.90 | KDM1A (0.31) | KDM1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6453342 | 0.90 | ESR2 (0.33) | — | |
| SCHEMBL6453346 | 0.90 | ESR2 (0.33) | — | |
| SCHEMBL6463262 | 0.89 | GAA (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |