Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| SCHEMBL12715624 | 0.87 | PARP1 (0.48) | PARP1CSNK2A1DYRK1AKIF11KMT2A | |
| SCHEMBL11961347 | 0.84 | GABRA1 (0.41) | PARP1CSNK2A1KIF11KMT2AALDH1A1 | |
| SCHEMBL6076536 | 0.83 | KDM4E (0.48) | PARP1KMOCCR3CSNK2A1DYRK1A | |
| SCHEMBL50743 | 0.81 | PARP1 (0.46) | PARP1KMOCCR3CSNK2A1DYRK1A | |
| SCHEMBL10186873 | 0.81 | PARP1 (0.46) | PARP1KMOCCR3CSNK2A1DYRK1A | |
| SCHEMBL14436046 | 0.81 | NR1I2 (0.43) | — | |
| SCHEMBL1173816 | 0.78 | PARP1 (0.52) | PARP1KMO | |
| SCHEMBL19316500 | 0.76 | PARP1 (0.42) | PARP1KMOCCR3CSNK2A1DYRK1A | |
| SCHEMBL5444969 | 0.75 | KDM4E (0.46) | PARP1KMT2AALDH1A1KDM4EGAA | |
| SCHEMBL6387931 | 0.73 | HTR2A (0.44) | PARP1KMOCCR3CSNK2A1DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2209784-B1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2012-08-01 | — | — | EP | disclosed |
| EP-2121697-B1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2011-08-31 | — | — | EP | disclosed |
| WO-2007092000-A1 | INHIBITORS OF HCV REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-08-16 | — | — | WO | disclosed |