Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.47 |
| ▸ | CTSL | P07711 | 9/20 | 0.47 |
| ▸ | CTSB | P07858 | 4/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6567353 | 0.88 | CHRNB2 (0.42) | CTSSCTSLCTSBCTSKMCL1 | |
| SCHEMBL6565460 | 0.84 | CHRNB2 (0.41) | CTSSCTSLCTSBCTSKMCL1 | |
| SCHEMBL7456077 | 0.81 | CTSS (0.57) | CTSSCTSLCTSBCTSKL3MBTL1 | |
| SCHEMBL6181806 | 0.81 | CTSS (0.57) | CTSSCTSLCTSBCTSKL3MBTL1 | |
| SCHEMBL6565811 | 0.79 | CTSS (0.40) | CTSSCTSLCTSBCTSKMCL1 | |
| SCHEMBL6565044 | 0.78 | CHRNB2 (0.41) | CTSSCTSLCTSBCTSKHPGD | |
| Hydrochloric Acid SCHEMBL28665674 | 0.75 | CHRNB2 (0.50) | MEN1KMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27558012 | 0.74 | CHRNB2 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA4MAPT | |
| SCHEMBL25990286 | 0.74 | ALOX15 (0.55) | MEN1KMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL30805758 | 0.73 | ALDH1A1 (0.58) | MEN1HPGDKMT2AMAPTL3MBTL1 |
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 |