Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 7/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 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 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | ELOVL6 | Q9H5J4 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL3718796 | 0.82 | CYP1A2 (0.42) | HSD11B1CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL3718974 | 0.81 | KMT2A (0.35) | HSD11B1CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL3716451 | 0.80 | CTSS (0.36) | KMT2AFAAHALDH1A1L3MBTL1EPHX2 | |
| SCHEMBL3716343 | 0.75 | CYP1A2 (0.39) | HSD11B1CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL3721567 | 0.75 | CYP1A2 (0.39) | HSD11B1CYP1A2CYP2D6ALOX15CYP2C19 | |
| SCHEMBL3715962 | 0.74 | SLC1A3 (0.46) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL694969 | 0.71 | CTSS (0.43) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL15327130 | 0.71 | CTSS (0.43) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL15327131 | 0.71 | CTSS (0.43) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3719416 | 0.70 | ARG1 (0.39) | HSD11B1CYP1A2CYP2D6ALOX15CYP2C19 |
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 |