Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 5/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL3725935 | 0.93 | P2RX7 (0.43) | P2RX7EPHX2RORCHSD11B1KMT2A | |
| SCHEMBL696084 | 0.91 | P2RX7 (0.40) | P2RX7EPHX2HCRTR1HCRTR2CTSL | |
| SCHEMBL697204 | 0.88 | KEAP1 (0.37) | RORCHCRTR1HCRTR2 | |
| SCHEMBL694457 | 0.87 | AADAT (0.36) | HSD11B1AKR1C3MAPTCTSS | |
| SCHEMBL696136 | 0.85 | AADAT (0.39) | HSD11B1AKR1C3MAPTCTSS | |
| SCHEMBL3719493 | 0.84 | CTSS (0.37) | RORCHSD11B1KMT2ACTSS | |
| SCHEMBL3719340 | 0.82 | RAB9A (0.37) | P2RX7RORCHSD11B1KMT2A | |
| SCHEMBL696119 | 0.82 | HSD11B1 (0.41) | P2RX7EPHX2RORCHSD11B1KMT2A | |
| SCHEMBL690481 | 0.81 | TSHR (0.36) | P2RX7HSD11B1AKR1C3KMT2AMAPT | |
| SCHEMBL697149 | 0.80 | CTSL (0.41) | RORCHSD11B1KMT2AHCRTR1HCRTR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |