Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | WNT3 | P56703 | 7/20 | 0.39 |
| ▸ | SFRP1 | Q8N474 | 7/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL697254 | 0.85 | HCRTR1 (0.47) | HCRTR1RORCWNT3SFRP1HSD11B1 | |
| SCHEMBL696098 | 0.81 | KDM4E (0.49) | KDM4EHCRTR1ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL15214404 | 0.80 | KDM4E (0.55) | KDM4EALDH1A1SMN1; SMN2TSHRF2 | |
| SCHEMBL14367287 | 0.79 | SIRT6 (0.49) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5651766 | 0.79 | SIRT6 (0.49) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5652256 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1SMN1; SMN2TSHRF2 | |
| SCHEMBL6210864 | 0.71 | ALDH1A1 (0.51) | KDM4EALDH1A1SMN1; SMN2RORCCYP2C19 | |
| SCHEMBL6212429 | 0.71 | ALDH1A1 (0.51) | KDM4EALDH1A1SMN1; SMN2RORCCYP2C19 | |
| SCHEMBL1771731 | 0.71 | AR (0.62) | KDM4EALDH1A1SMN1; SMN2F2F10 | |
| SCHEMBL6211340 | 0.71 | MEN1 (0.54) | KDM4EALDH1A1SMN1; SMN2TSHRCYP2C19 |
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 |