Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | SPR | P35270 | 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 | |
|---|---|---|---|---|
| SCHEMBL414025 | 0.85 | SCD5 (0.36) | — | |
| SCHEMBL17707494 | 0.67 | CYP2D6 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3SPR | |
| SCHEMBL16453921 | 0.63 | CYP4F2 (0.34) | — | |
| SCHEMBL13451904 | 0.62 | APP (0.36) | — | |
| SCHEMBL16453920 | 0.61 | CYP4F2 (0.39) | — | |
| SCHEMBL16450965 | 0.58 | USP2 (0.39) | — | |
| SCHEMBL16450967 | 0.58 | USP2 (0.39) | — | |
| SCHEMBL20777959 | 0.57 | CYP4F2 (0.38) | CYP2D6 | |
| SCHEMBL15437444 | 0.56 | KMT2A (0.32) | — | |
| SCHEMBL31719937 | 0.55 | CYP4F2 (0.41) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | EP | disclosed |