Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CTSS | P25774 | 3/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
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) | CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1 | |
| SCHEMBL6181962 | 0.86 | CTSS (0.50) | L3MBTL1CTSSCTSLCTSBCTSK | |
| SCHEMBL6563827 | 0.84 | CTSS (0.47) | CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1 | |
| SCHEMBL6565436 | 0.74 | CTSL (0.39) | L3MBTL1ALDH1A1MAPTCTSSCTSL | |
| SCHEMBL6183160 | 0.74 | CTSS (0.49) | L3MBTL1CTSSCTSLCTSBCTSK | |
| SCHEMBL6565811 | 0.73 | CTSS (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4CTSS | |
| SCHEMBL6565044 | 0.72 | CHRNB2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1 | |
| SCHEMBL6183204 | 0.72 | CTSS (0.49) | L3MBTL1CTSSCTSLCTSBCTSK | |
| SCHEMBL6183593 | 0.71 | CTSS (0.50) | L3MBTL1CTSSCTSLCTSBCTSK | |
| SCHEMBL6181806 | 0.71 | CTSS (0.57) | L3MBTL1CTSSCTSLCTSBCTSK |
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 |