Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | BMP1 | P13497 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | FPR2 | P25090 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL6806965 | 0.84 | RAB9A (0.38) | RAB9AKCNH2ATMATRIKBKB | |
| SCHEMBL7361089 | 0.80 | IKBKB (0.39) | RAB9AKCNH2ATMATRIKBKB | |
| SCHEMBL6802384 | 0.80 | BMP1 (0.38) | RAB9AKCNH2ATMATRIKBKB | |
| SCHEMBL6798235 | 0.78 | RAB9A (0.36) | RAB9AKCNH2ATMATRIKBKB | |
| SCHEMBL7357734 | 0.78 | RAB9A (0.39) | RAB9AKCNH2ATMATRIKBKB | |
| SCHEMBL6806971 | 0.78 | AAK1 (0.43) | RAB9AKCNH2ATMATRIKBKB | |
| SCHEMBL6802381 | 0.73 | CNR1 (0.37) | TP53LMNA | |
| SCHEMBL6798242 | 0.72 | RAB9A (0.39) | RAB9AKCNH2ATMATRALDH1A1 | |
| SCHEMBL6800322 | 0.69 | KDM4E (0.38) | RAB9AIKBKBALDH1A1TP53MKNK1 | |
| SCHEMBL6803048 | 0.65 | RAB9A (0.36) | RAB9AIKBKBALDH1A1LMNA |
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 |