Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | CRACR2A | Q9BSW2 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | FPR3 | P25089 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL845086 | 0.96 | EPHX2 (0.40) | EPHX2CYP3A4ITGB1ITGA4KMT2A | |
| SCHEMBL10119279 | 0.91 | EPHX2 (0.37) | EPHX2CYP3A4ITGB1ITGA4KMT2A | |
| SCHEMBL845441 | 0.91 | GAA (0.43) | EPHX2CYP3A4ITGB1ITGA4MAPK1 | |
| SCHEMBL845334 | 0.91 | ITGB1 (0.39) | EPHX2CYP3A4ITGB1ITGA4KMT2A | |
| SCHEMBL10119337 | 0.84 | ADRB1 (0.36) | EPHX2CYP3A4ITGB1ITGA4HTR1A | |
| SCHEMBL845099 | 0.82 | ITGB1 (0.44) | ITGB1ITGA4KMT2AHPGDCA1 | |
| SCHEMBL845622 | 0.81 | ITGB1 (0.42) | ITGB1ITGA4HTR1ADRD2PARP1 | |
| SCHEMBL845195 | 0.80 | HCRTR1 (0.46) | EPHX2CYP3A4MAPK1 | |
| SCHEMBL845214 | 0.79 | ITGB1 (0.39) | EPHX2ITGB1ITGA4KMT2AMEN1 | |
| SCHEMBL845098 | 0.79 | ITGB1 (0.43) | ITGB1ITGA4KMT2AHPGDCA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1893573-B1 | INHIBITORS OF HCV REPLICATION | BRISTOL MYERS SQUIBB CO (US) | 2010-07-21 | — | — | EP | disclosed |