Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3898232 | 0.84 | CTSB (0.43) | HPGDEPHX1CTSLCTSBCTSS | |
| SCHEMBL6567357 | 0.79 | EPHX2 (0.40) | HPGDEPHX1LMNAALDH1A1CTSL | |
| SCHEMBL6567332 | 0.78 | CTSB (0.40) | HPGDEPHX1RAB9ANPC1MAPT | |
| SCHEMBL7431174 | 0.77 | LMNA (0.37) | HPGDEPHX1RAB9ANPC1LMNA | |
| SCHEMBL3898239 | 0.77 | CTSL (0.57) | HPGDEPHX1CTSLCTSBCTSS | |
| SCHEMBL7434373 | 0.75 | CTSB (0.40) | HPGDEPHX1CTSLCTSBCTSS | |
| SCHEMBL3893533 | 0.75 | CTSL (0.48) | HPGDEPHX1CTSLCTSBCTSS | |
| SCHEMBL3908088 | 0.74 | CTSB (0.41) | HPGDEPHX1ALDH1A1CTSLCTSB | |
| SCHEMBL6567042 | 0.74 | CTSS (0.35) | HPGDEPHX1LMNACTSLCTSB | |
| SCHEMBL3908091 | 0.73 | CTSS (0.41) | HPGDCTSLCTSBCTSS |
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 3 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 |
| EP-1399431-B1 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |