Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 4/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 4/20 | 0.32 |
| ▸ | DPP4 | P27487 | 3/20 | 0.31 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | FAP | Q12884 | 1/20 | 0.30 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718924 | 0.78 | SLC6A2 (0.36) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3715962 | 0.73 | SLC1A3 (0.46) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3717159 | 0.71 | ELOVL6 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL694969 | 0.70 | CTSS (0.43) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL15327131 | 0.70 | CTSS (0.43) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL15327130 | 0.70 | CTSS (0.43) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3718796 | 0.69 | CYP1A2 (0.42) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL695260 | 0.69 | CTSS (0.37) | CTSSCTSLCTSB | |
| SCHEMBL3723335 | 0.69 | ELOVL6 (0.35) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3718906 | 0.67 | HSD11B1 (0.36) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 |
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 |