Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | CPT1A | P50416 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ADCY1 | Q08828 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2595542 | 0.81 | ALDH1A1 (0.36) | ADCY1CCR5HSD11B1 | |
| SCHEMBL2593261 | 0.75 | CPT2 (0.48) | SLC6A2SLC6A4CPT2CPT1ACHRM2 | |
| SCHEMBL408403 | 0.73 | PKM (0.39) | PKMADCY1CCR5HSD11B1 | |
| SCHEMBL441026 | 0.73 | PKM (0.39) | PKMADCY1CCR5HSD11B1 | |
| SCHEMBL13595131 | 0.69 | CHRM2 (0.48) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL8058857 | 0.69 | CHRM2 (0.48) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL272354 | 0.69 | CHRM2 (0.48) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL11514730 | 0.69 | CHRM2 (0.48) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL16636099 | 0.69 | SLC6A2 (0.45) | SLC6A2SLC6A4CPT2CPT1ABDKRB1 | |
| SCHEMBL406761 | 0.68 | PKM (0.40) | PKMADCY1DPP4DPP8DPP7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | disclosed |