Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27550007 | 0.81 | SMYD3 (0.46) | SMYD3MAP3K5CPB2CYP2E1CYP3A4 | |
| SCHEMBL27569708 | 0.77 | KDM5A (0.37) | CPB2 | |
| SCHEMBL151394 | 0.70 | SMYD3 (0.50) | SMYD3MAP3K5CPB2CYP2E1CYP3A4 | |
| SCHEMBL12159797 | 0.70 | SMYD3 (0.50) | SMYD3MAP3K5CPB2CYP2E1CYP3A4 | |
| SCHEMBL6335415 | 0.69 | SMYD3 (0.52) | SMYD3MAP3K5CPB2CYP2E1CYP3A4 | |
| SCHEMBL7425205 | 0.66 | SMYD3 (0.50) | SMYD3MAP3K5CPB2CYP2E1CYP3A4 | |
| SCHEMBL16566390 | 0.66 | SMYD3 (0.57) | SMYD3MAP3K5CPB2CYP2E1CYP3A4 | |
| SCHEMBL25153647 | 0.65 | NOTUM (0.51) | SMYD3MAP3K5 | |
| SCHEMBL30162870 | 0.63 | SMYD3 (0.57) | SMYD3MAP3K5CPB2 | |
| SCHEMBL9032506 | 0.62 | CYP2E1 (0.40) | SMYD3MAP3K5CPB2CYP2E1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1324018-C | Oligopeptides and compositions containing them as cathepsin S inhibitors | AVENTIS PHARMA INC (US) | 2007-07-04 | — | — | CN | disclosed |