Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | NOTUM | Q6P988 | 13/20 | 0.55 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14599950 | 0.75 | CYP2D6 (0.60) | CYP2D6CYP2C9POLBSMN1; SMN2NOTUM | |
| SCHEMBL12443421 | 0.75 | POLB (0.62) | CYP2D6CYP2C9POLBNOTUMBRD4 | |
| SCHEMBL68594 | 0.74 | NOTUM (0.72) | CYP2D6CYP2C9POLBNOTUMBRD4 | |
| SCHEMBL14726015 | 0.74 | CYP2D6 (0.59) | CYP2D6CYP2C9POLBNOTUMBRD4 | |
| SCHEMBL4422526 | 0.74 | CYP2D6 (0.58) | CYP2D6CYP2C9POLBSMN1; SMN2NOTUM | |
| SCHEMBL4422532 | 0.74 | CYP2D6 (0.58) | CYP2D6CYP2C9POLBSMN1; SMN2NOTUM | |
| SCHEMBL4415354 | 0.73 | SMN1; SMN2 (0.57) | CYP2D6CYP2C9SMN1; SMN2NOTUMALDH1A1 | |
| SCHEMBL7688831 | 0.73 | SMN1; SMN2 (0.57) | CYP2D6CYP2C9SMN1; SMN2NOTUMALDH1A1 | |
| SCHEMBL396037 | 0.72 | NOTUM (1.00) | POLBSMN1; SMN2NOTUMHSD17B3ALDH1A1 | |
| SCHEMBL29449723 | 0.72 | NOTUM (1.00) | POLBSMN1; SMN2NOTUMHSD17B3ALDH1A1 |
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-2005023772-A1 | MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-17 | — | — | WO | disclosed |