Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.31 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.31 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL6567042 | 0.94 | CTSS (0.35) | CTSSCTSBCTSLLMNAEPHX1 | |
| SCHEMBL6565456 | 0.89 | ACHE (0.38) | CTSSCTSBCTSLLMNAEPHX1 | |
| SCHEMBL7431174 | 0.85 | LMNA (0.37) | CTSSCTSBCTSLLMNAEPHX1 | |
| SCHEMBL6565861 | 0.85 | CTSB (0.36) | CTSSCTSBCTSLLMNACTSK | |
| SCHEMBL7434373 | 0.84 | CTSB (0.40) | CTSSCTSBCTSLEPHX1HPGD | |
| SCHEMBL7419101 | 0.78 | CTSS (0.53) | CTSSCTSBCTSLCTSK | |
| SCHEMBL7023323 | 0.77 | CTSS (0.42) | CTSSCTSBCTSLCTSK | |
| SCHEMBL6565853 | 0.76 | CTSL (0.42) | CTSSCTSBCTSLCTSK | |
| SCHEMBL3898232 | 0.75 | CTSB (0.43) | CTSSCTSBCTSLEPHX1HPGD | |
| SCHEMBL6565858 | 0.75 | NR1H4 (0.36) | CTSSCTSBCTSLCTSKATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |