Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 9/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1293774 | 0.78 | GSK3B (0.50) | GSK3BPTPN1BACE1 | |
| SCHEMBL1758965 | 0.77 | PTPN1 (0.51) | GSK3BPTPN1ERN1 | |
| SCHEMBL1293480 | 0.72 | PTPN1 (0.68) | GSK3BPTPN1 | |
| SCHEMBL1758979 | 0.71 | BACE1 (0.47) | BACE1HDAC2ERN1 | |
| SCHEMBL27954240 | 0.70 | AKR1C3 (0.36) | AAK1BACE1HDAC2HDAC8HDAC6 | |
| SCHEMBL4307699 | 0.69 | GSK3B (0.52) | GSK3BPTPN1HDAC2HDAC8HDAC6 | |
| SCHEMBL689331 | 0.68 | GSK3B (0.83) | GSK3BPTPN1 | |
| SCHEMBL1459296 | 0.66 | NCF1 (0.41) | BACE1HDAC8 | |
| SCHEMBL12647391 | 0.65 | KDM4E (0.40) | BACE1HDAC2HDAC8HDAC6ERN1 | |
| SCHEMBL23781126 | 0.65 | PTPN1 (0.56) | GSK3BPTPN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499127-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| EP-2499115-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011059887-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011059850-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |