Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 4/20 | 0.42 |
| ▸ | CTSB | P07858 | 4/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | CCNK | O75909 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3902637 | 0.87 | CTSL (0.48) | CTSLCTSBCTSKCTSSMCL1 | |
| SCHEMBL6565039 | 0.86 | CTSS (0.46) | CTSLCTSBCTSKCTSSMCL1 | |
| SCHEMBL6565429 | 0.82 | CTSL (0.40) | CTSLCTSBCTSKCTSSMCL1 | |
| SCHEMBL6567343 | 0.81 | UTS2R (0.42) | CTSLCTSBCTSKCTSSALDH1A1 | |
| SCHEMBL3902634 | 0.80 | CTSS (0.49) | CTSLCTSBCTSKCTSSMCL1 | |
| SCHEMBL3893070 | 0.77 | CTSS (0.43) | CTSLCTSBCTSKCTSSUTS2R | |
| SCHEMBL3893067 | 0.77 | CTSK (0.43) | CTSLCTSBCTSKCTSSHPGD | |
| SCHEMBL6565446 | 0.77 | MCL1 (0.40) | CTSLCTSBCTSKCTSSMCL1 | |
| SCHEMBL3898975 | 0.76 | CTSS (0.53) | CTSLCTSBCTSS | |
| SCHEMBL3910486 | 0.76 | CTSL (0.46) | CTSLCTSBCTSKCTSS |
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 |