Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VHL | P40337 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL13272504 | 1.00 | VHL (0.44) | VHLPOLBKMT2ATSHRCYP2C9 | |
| SCHEMBL845390 | 0.95 | VHL (0.48) | VHLKMT2ATSHRCYP2C9CYP2C19 | |
| SCHEMBL844965 | 0.90 | VHL (0.44) | VHLKMT2ATSHRCYP2C9CYP2C19 | |
| SCHEMBL845253 | 0.89 | VHL (0.43) | VHLKMT2ATSHRCYP2C9CYP2C19 | |
| SCHEMBL844964 | 0.89 | CNR2 (0.44) | VHLTSHRALDH1A1CCNE1CDK2 | |
| SCHEMBL13272388 | 0.89 | VHL (0.43) | VHLKMT2ATSHRCYP2C9CYP2C19 | |
| SCHEMBL845607 | 0.89 | VHL (0.43) | VHLPOLBKMT2ATSHRCYP2C9 | |
| SCHEMBL845206 | 0.86 | CYP2C9 (0.52) | KMT2ATSHRCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL845719 | 0.86 | VHL (0.41) | VHLPOLBKMT2ATSHRCYP2C9 | |
| SCHEMBL13272496 | 0.85 | VHL (0.40) | VHLTSHRALDH1A1CCNE1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| EP-1893573-B1 | INHIBITORS OF HCV REPLICATION | BRISTOL MYERS SQUIBB CO (US) | 2010-07-21 | — | — | EP | disclosed |