Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPN1 | P15169 | 2/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18469989 | 0.85 | CPN1 (0.38) | CPN1CPB2OPRD1SLC6A2SLC6A4 | |
| SCHEMBL14748531 | 0.82 | SLC6A2 (0.36) | CPN1CPB2OPRD1SLC6A2SLC6A4 | |
| SCHEMBL9347148 | 0.77 | CPN1 (0.38) | CPN1CPB2OPRD1SLC6A2SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL18428957 | 0.76 | OPRD1 (0.35) | CPN1CPB2OPRD1SLC6A2SLC6A4 | |
| SCHEMBL4592035 | 0.74 | MME (0.39) | OPRD1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27293691 | 0.74 | OPRD1 (0.33) | CPN1CPB2OPRD1 | |
| SCHEMBL5649063 | 0.73 | SLC6A2 (0.34) | CPN1CPB2SLC6A2SLC6A4 | |
| SCHEMBL11446825 | 0.71 | SLC6A2 (0.39) | CPN1CPB2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27802409 | 0.68 | SLC6A2 (0.38) | CPN1CPB2OPRD1SLC6A2SLC6A4 | |
| SCHEMBL1775857 | 0.67 | CPN1 (0.67) | CPN1CPB2OPRD1SLC6A2SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017003995-A1 | TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | WO | disclosed |