Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | PEPD | P12955 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8026939 | 1.00 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL10254637 | 1.00 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL8320214 | 1.00 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL2610958 | 1.00 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL1942510 | 1.00 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL17387696 | 0.91 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL8036990 | 0.91 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL1942138 | 0.91 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL2610961 | 0.91 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL10254636 | 0.91 | HDAC1 (0.41) | HDAC1HDAC8HDAC4ITGB3ITGA2B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2089020-A1 | MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-08-19 | — | — | EP | disclosed |
| EP-2086980-A1 | MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-08-12 | — | — | EP | disclosed |
| WO-2008064057-A1 | MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-29 | — | — | WO | disclosed |
| WO-2008064061-A1 | MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-29 | — | — | WO | disclosed |
| EP-1629000-A4 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2006-11-29 | — | — | EP | disclosed |
| EP-1629000-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | Bristol-Myers Squibb Company (US) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |