Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.38 |
| ▸ | SGPL1 | O95470 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 2/20 | 0.31 |
| ▸ | HTR1B | P28222 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6459021 | 1.00 | S1PR1 (0.38) | S1PR1SGPL1CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL6453995 | 0.99 | S1PR1 (0.39) | S1PR1SGPL1CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL6453997 | 0.99 | S1PR1 (0.39) | S1PR1SGPL1CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL6453915 | 0.97 | S1PR1 (0.38) | S1PR1SGPL1CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL6453919 | 0.97 | S1PR1 (0.38) | S1PR1SGPL1CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL6457932 | 0.92 | CHRM2 (0.37) | S1PR1SGPL1CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL6457935 | 0.92 | CHRM2 (0.37) | S1PR1SGPL1CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL6457138 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP11B1CYP11B2CHRM2CHRM4 | |
| SCHEMBL6457134 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP11B1CYP11B2CHRM2CHRM4 | |
| SCHEMBL6453320 | 0.88 | HTR1D (0.41) | S1PR1SGPL1HTR1DHTR1B |
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 |