Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 5/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6458898 | 1.00 | ACACB (0.33) | ACACBCYP2A6SPHK1RETFFAR1 | |
| SCHEMBL6454169 | 0.90 | ACACB (0.44) | ACACBSPHK1 | |
| SCHEMBL6454176 | 0.90 | ACACB (0.44) | ACACBSPHK1 | |
| SCHEMBL6452941 | 0.90 | CYP2C9 (0.39) | ACACBCYP2A6SPHK1CYP2C9 | |
| SCHEMBL6452934 | 0.90 | CYP2C9 (0.39) | ACACBCYP2A6SPHK1CYP2C9 | |
| SCHEMBL6458086 | 0.88 | FFAR1 (0.43) | FFAR1CYP2C9 | |
| SCHEMBL6458080 | 0.88 | FFAR1 (0.43) | FFAR1CYP2C9 | |
| SCHEMBL6453835 | 0.87 | SPHK1 (0.33) | SPHK1CYP2C9 | |
| SCHEMBL6453837 | 0.87 | SPHK1 (0.33) | SPHK1CYP2C9 | |
| SCHEMBL6455249 | 0.87 | SPHK1 (0.36) | SPHK1CYP2C9 |
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 |