Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.31 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3724923 | 0.78 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 | |
| SCHEMBL3715962 | 0.71 | SLC1A3 (0.46) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 | |
| SCHEMBL694824 | 0.70 | CTSL (0.35) | CCR1 | |
| SCHEMBL3723335 | 0.70 | ELOVL6 (0.35) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 | |
| SCHEMBL3717159 | 0.69 | ELOVL6 (0.33) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 | |
| SCHEMBL694969 | 0.69 | CTSS (0.43) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 | |
| SCHEMBL15327130 | 0.69 | CTSS (0.43) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 | |
| SCHEMBL15327131 | 0.69 | CTSS (0.43) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 | |
| SCHEMBL3718906 | 0.68 | HSD11B1 (0.36) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 | |
| SCHEMBL3718796 | 0.68 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C19SLC1A3SLC1A2 |
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-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |