Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 3/20 | 0.37 |
| ▸ | PPARA | Q07869 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL6801355 | 0.71 | CTSL (0.38) | ALDH1A1KDM4EHPGDHSD17B10RAB9A | |
| SCHEMBL6801357 | 0.69 | CTSL (0.42) | ALDH1A1KDM4EHPGDHSD17B10RAB9A | |
| SCHEMBL6807134 | 0.68 | CTSL (0.44) | PPARGPPARAPOLBCTSL | |
| SCHEMBL6807131 | 0.67 | PPARG (0.38) | ALDH1A1KDM4EHPGDHSD17B10RAB9A | |
| SCHEMBL6800330 | 0.66 | AAK1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10RAB9A | |
| SCHEMBL6800322 | 0.65 | KDM4E (0.38) | ALDH1A1KDM4EHPGDHSD17B10RAB9A | |
| SCHEMBL7365739 | 0.64 | ERCC1 (0.36) | ALDH1A1HPGDSMN1; SMN2EPHX2MAPK1 | |
| SCHEMBL6797431 | 0.63 | TP53 (0.35) | TP53PPARGPPARACTSL | |
| SCHEMBL7366743 | 0.61 | LMNA (0.41) | ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6797434 | 0.61 | CTSL (0.37) | TP53PPARGPPARACTSLCTSS |
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-1159273-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000051998-A1 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | disclosed |