Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 11/20 | 0.42 |
| ▸ | DBF4 | Q9UBU7 | 11/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 5/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6807089 | 0.84 | CDC7 (0.42) | CDC7DBF4CCNE1CDK2TBK1 | |
| SCHEMBL6807084 | 0.72 | CDC7 (0.44) | CDC7DBF4CCNE1CDK2TBK1 | |
| SCHEMBL6807294 | 0.61 | CDC7 (0.49) | CDC7DBF4CCNE1CDK2 | |
| SCHEMBL8843252 | 0.59 | EPHX1 (0.53) | MAPTALDH1A1 | |
| SCHEMBL5271748 | 0.59 | CDC7 (0.69) | CDC7DBF4CCNE1CDK2MAPT | |
| SCHEMBL4310703 | 0.59 | MASP2 (0.43) | — | |
| SCHEMBL14059220 | 0.59 | TBK1 (1.00) | TBK1IKBKE | |
| Hydrochloric Acid SCHEMBL8843287 | 0.58 | EPHX1 (0.52) | MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL953385 | 0.58 | CDC7 (1.00) | CDC7DBF4CCNE1CDK2ALDH1A1 | |
| SCHEMBL16113884 | 0.58 | CDC7 (1.00) | CDC7DBF4CCNE1CDK2MAPT |
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 |