Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL6567357 | 0.86 | EPHX2 (0.40) | CTSBCTSSCTSLKMT2AALDH1A1 | |
| SCHEMBL3898232 | 0.84 | CTSB (0.43) | CTSBCTSSCTSLCTSKATM | |
| SCHEMBL3899355 | 0.78 | HPGD (0.42) | CTSBCTSSCTSLL3MBTL1MAPT | |
| SCHEMBL3898239 | 0.76 | CTSL (0.57) | CTSBCTSSCTSLCTSKMCL1 | |
| SCHEMBL3892955 | 0.75 | CTSL (0.42) | CTSBCTSSCTSLL3MBTL1CTSK | |
| SCHEMBL3908091 | 0.74 | CTSS (0.41) | CTSBCTSSCTSLCTSKHPGD | |
| SCHEMBL7434373 | 0.74 | CTSB (0.40) | CTSBCTSSCTSLL3MBTL1CTSK | |
| SCHEMBL6567349 | 0.73 | CTSS (0.47) | CTSBCTSSCTSLL3MBTL1CTSK | |
| SCHEMBL3908088 | 0.73 | CTSB (0.41) | CTSBCTSSCTSLCTSKALDH1A1 | |
| SCHEMBL6565861 | 0.73 | CTSB (0.36) | CTSBCTSSCTSLL3MBTL1CTSK |
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 |