Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723053 | 0.86 | KMT2A (0.48) | HCRTR1SMN1; SMN2CTSSCHRM4ITGB2 | |
| SCHEMBL696988 | 0.81 | KDM4E (0.51) | KDM4EHCRTR1ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL2105352 | 0.71 | CTSS (0.52) | KDM4EALDH1A1CTSS | |
| SCHEMBL696097 | 0.71 | CTSS (0.52) | KDM4EALDH1A1CTSS | |
| SCHEMBL2103620 | 0.71 | CTSS (0.52) | KDM4EALDH1A1CTSS | |
| SCHEMBL3717187 | 0.70 | HSD11B1 (0.41) | HCRTR1ALDH1A1SMN1; SMN2ITGB2ICAM1 | |
| SCHEMBL3716488 | 0.68 | HSD11B1 (0.39) | SMN1; SMN2CTSS | |
| SCHEMBL15214404 | 0.67 | KDM4E (0.55) | KDM4EALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL697254 | 0.66 | HCRTR1 (0.47) | HCRTR1ITGB2ICAM1ITGAL | |
| SCHEMBL28220101 | 0.66 | KDM4E (0.49) | KDM4EALDH1A1SMN1; SMN2TSHRPOLB |
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 |