Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 4/20 | 0.36 |
| ▸ | CTSB | P07858 | 4/20 | 0.36 |
| ▸ | CTSS | P25774 | 4/20 | 0.36 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6565489 | 0.81 | CTSS (0.47) | MCL1CTSLCTSBCTSSCTSK | |
| SCHEMBL6565444 | 0.77 | CTSL (0.42) | MCL1BCHECTSLCTSBCTSS | |
| SCHEMBL6565044 | 0.76 | CHRNB2 (0.41) | CASP1CTSLCTSBCTSSCTSK | |
| SCHEMBL6565039 | 0.76 | CTSS (0.46) | MCL1CTSLCTSBCTSSCTSK | |
| SCHEMBL6565436 | 0.74 | CTSL (0.39) | CASP1BCHECTSLCTSSALDH1A1 | |
| SCHEMBL6567346 | 0.73 | L3MBTL1 (0.40) | MCL1CTSLCTSBCTSSCTSK | |
| SCHEMBL7438096 | 0.71 | CTSS (0.42) | CASP1CTSLCTSBCTSSCTSK | |
| SCHEMBL3899355 | 0.70 | HPGD (0.42) | MCL1BCHECTSLCTSBCTSS | |
| SCHEMBL6563724 | 0.70 | CTSS (0.48) | CTSLCTSBCTSSCTSK | |
| SCHEMBL6563875 | 0.69 | CTSS (0.50) | CTSLCTSBCTSSCTSK |
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 |