Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL845214 | 0.94 | ITGB1 (0.39) | ITGB1ITGA4MAPTKDM4EACE | |
| SCHEMBL845097 | 0.82 | NAMPT (0.39) | ITGB1ITGA4MAPTKDM4ENAMPT | |
| SCHEMBL845328 | 0.78 | NAMPT (0.35) | ITGB1ITGA4MAPTKDM4ENAMPT | |
| SCHEMBL845099 | 0.77 | ITGB1 (0.44) | ITGB1ITGA4MAPTKDM4EKMT2A | |
| SCHEMBL845331 | 0.77 | PTPN1 (0.41) | MAPTKDM4ENAMPTRAB9AKMT2A | |
| SCHEMBL845098 | 0.76 | ITGB1 (0.43) | ITGB1ITGA4MAPTKDM4ERAB9A | |
| SCHEMBL845190 | 0.74 | EPHX2 (0.42) | ITGB1ITGA4RAB9AKMT2AMEN1 | |
| SCHEMBL845622 | 0.74 | ITGB1 (0.42) | ITGB1ITGA4NAMPTPDE3B | |
| SCHEMBL845086 | 0.74 | EPHX2 (0.40) | ITGB1ITGA4MAPTKDM4ERAB9A | |
| SCHEMBL13272437 | 0.74 | ITGB1 (0.32) | ITGB1ITGA4 |
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 2 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 |