Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKLR | P30613 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | USP19 | O94966 | 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 | |
|---|---|---|---|---|
| SCHEMBL28219846 | 0.85 | CYP2D6 (0.32) | CYP2D6 | |
| SCHEMBL7055664 | 0.80 | CYP2C19 (0.37) | — | |
| SCHEMBL1972942 | 0.76 | SLC6A2 (0.33) | CYP2D6 | |
| SCHEMBL21840110 | 0.76 | CYP46A1 (0.40) | PKLRCYP2D6 | |
| SCHEMBL21807700 | 0.75 | CYP4F2 (0.33) | CYP2D6 | |
| SCHEMBL23253117 | 0.74 | CYP46A1 (0.33) | — | |
| SCHEMBL1728632 | 0.74 | L3MBTL1 (0.39) | — | |
| SCHEMBL20702372 | 0.72 | AVPR1A (0.32) | — | |
| SCHEMBL3961313 | 0.72 | AVPR1A (0.32) | — | |
| SCHEMBL17317128 | 0.72 | AVPR1A (0.33) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2014139144-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |