Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 11/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 9/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3721567 | 0.88 | CYP1A2 (0.39) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3727566 | 0.84 | CTSS (0.37) | CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL3716343 | 0.84 | CYP1A2 (0.39) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3718974 | 0.78 | KMT2A (0.35) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL2105653 | 0.74 | GRIK1 (0.41) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL696537 | 0.71 | CTSS (0.35) | GRIK1GRIA2KDM4EHTTSLC6A2 | |
| SCHEMBL3718796 | 0.71 | CYP1A2 (0.42) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3724313 | 0.69 | CTSS (0.38) | CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL696596 | 0.69 | LGMN (0.33) | DPP4FAPNOTUMKDM4E | |
| SCHEMBL3718248 | 0.68 | HSD11B1 (0.38) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 |
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 |