Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | REN | P00797 | 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 | |
|---|---|---|---|---|
| SCHEMBL7363595 | 0.90 | MEN1 (0.31) | MEN1KMT2ATP53CYP1A2CYP3A4 | |
| SCHEMBL7363588 | 0.71 | ALDH1A1 (0.37) | PPARGPPARATP53POLBEPHX2 | |
| SCHEMBL6806942 | 0.71 | CTSL (0.43) | REN | |
| SCHEMBL7365739 | 0.66 | ERCC1 (0.36) | EPHX2SMN1; SMN2 | |
| SCHEMBL6806939 | 0.66 | CTSL (0.36) | PPARGPPARATP53POLB | |
| SCHEMBL7361089 | 0.65 | IKBKB (0.39) | REN | |
| SCHEMBL6797431 | 0.64 | TP53 (0.35) | PPARGPPARATP53 | |
| SCHEMBL6062675 | 0.61 | CTSS (0.42) | CYP3A4SMN1; SMN2 | |
| SCHEMBL6807134 | 0.59 | CTSL (0.44) | PPARGPPARAPOLB | |
| SCHEMBL6466351 | 0.59 | FAAH (0.38) | TP53CYP1A2CYP3A4CYP2D6TSHR |
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 |