Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.32 |
| ▸ | CACNG8 | Q8WXS5 | 3/20 | 0.32 |
| ▸ | CCR3 | P51677 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.30 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4727743 | 0.78 | PARP1 (0.43) | PARP1PNMT | |
| SCHEMBL31158971 | 0.69 | CD44 (0.37) | KDM4EGRIA1CACNG8HTR2AHTR2C | |
| SCHEMBL31176882 | 0.69 | POLB (0.40) | PARP1 | |
| SCHEMBL28067181 | 0.68 | PARP1 (0.47) | PARP1HTR2CHTR2BPNMT | |
| SCHEMBL13833540 | 0.68 | PARP1 (0.47) | PARP1HTR2C | |
| SCHEMBL14820465 | 0.68 | PARP1 (0.47) | PARP1 | |
| SCHEMBL16621278 | 0.68 | PARP1 (0.47) | PARP1PNMT | |
| SCHEMBL16154709 | 0.68 | PARP1 (0.43) | PARP1 | |
| SCHEMBL28039591 | 0.67 | SRC (0.44) | PARP1KDM4EGRIA1CACNG8CCR3 | |
| SCHEMBL28122218 | 0.66 | PDE3A (0.34) | PARP1GRIA1CACNG8 |
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-1684787-A4 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2009-08-05 | — | — | EP | disclosed |
| EP-1684787-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005051410-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-09 | — | — | WO | disclosed |