Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6567332 | 0.86 | CTSB (0.40) | CTSBCTSSCTSLEPHX1MCL1 | |
| SCHEMBL3898232 | 0.84 | CTSB (0.43) | CTSBCTSSCTSLEPHX1BCHE | |
| SCHEMBL3899355 | 0.79 | HPGD (0.42) | CTSBCTSSCTSLEPHX1BCHE | |
| SCHEMBL3898239 | 0.75 | CTSL (0.57) | CTSBCTSSCTSLEPHX1MCL1 | |
| SCHEMBL3908091 | 0.74 | CTSS (0.41) | CTSBCTSSCTSLHPGDOPRM1 | |
| SCHEMBL3902550 | 0.73 | CTSC (0.45) | CTSBCTSSCTSLALDH1A1 | |
| SCHEMBL7434373 | 0.73 | CTSB (0.40) | CTSBCTSSCTSLEPHX1MCL1 | |
| SCHEMBL3893533 | 0.73 | CTSL (0.48) | CTSBCTSSCTSLEPHX1MCL1 | |
| SCHEMBL6567042 | 0.73 | CTSS (0.35) | CTSBCTSSCTSLEPHX1BCHE | |
| SCHEMBL3908088 | 0.73 | CTSB (0.41) | CTSBCTSSCTSLEPHX1MCL1 |
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 |