Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7329705 | 0.86 | CTSD (0.40) | CYP3A4MAPK1 | |
| SCHEMBL7324603 | 0.85 | CTSD (0.42) | CTSK | |
| SCHEMBL7332055 | 0.83 | CTSD (0.39) | — | |
| SCHEMBL7330377 | 0.82 | CTRB1 (0.43) | CYP3A4SIRT2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7324038 | 0.76 | CTSD (0.40) | CYP3A4MAPK1 | |
| SCHEMBL9295742 | 0.75 | CYP3A4 (0.35) | CYP3A4MAPK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10954138 | 0.72 | ACE (0.45) | — | |
| SCHEMBL7319644 | 0.70 | CTSD (0.49) | — | |
| SCHEMBL7328959 | 0.70 | CTSD (0.49) | — | |
| SCHEMBL7607048 | 0.70 | ABCB1 (0.41) | CTSLALDH1A1CTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1990000399-A1 | RETROVIRAL PROTEASE BINDING PEPTIDES | SMITHKLINE BECKMAN CORPORATION (US) | 1990-01-25 | — | — | WO | disclosed |
| EP-0352000-A2 | Retroviral protease binding peptides | SMITHKLINE BEECHAM CORPORATION (US) | 1990-01-24 | — | — | EP | disclosed |