Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 8/20 | 0.54 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP14 | P50281 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13711117 | 1.00 | EPHX1 (0.54) | EPHX1MMP2CA12CA1CA2 | |
| SCHEMBL5805508 | 0.89 | — | — | |
| SCHEMBL22109460 | 0.89 | — | — | |
| SCHEMBL13707900 | 0.82 | EPHX1 (0.52) | EPHX1MMP2CA12CA1CA2 | |
| SCHEMBL13707882 | 0.82 | EPHX1 (0.52) | EPHX1MMP2CA12CA1CA2 | |
| SCHEMBL5089681 | 0.82 | EPHX1 (0.52) | EPHX1MMP2CA12CA1CA2 | |
| SCHEMBL24946223 | 0.81 | MMP2 (0.41) | EPHX1MMP2CA12CA1CA2 | |
| SCHEMBL22303144 | 0.81 | MMP2 (0.41) | EPHX1MMP2CA12CA1CA2 | |
| SCHEMBL10441975 | 0.81 | EPHX1 (0.40) | EPHX1MMP2CA12CA1CA2 | |
| SCHEMBL1273086 | 0.81 | MMP2 (0.41) | EPHX1MMP2CA12CA1CA2 |
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-7595299-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2009-09-29 | — | — | US | disclosed |
| US-7169760-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2007-01-30 | — | — | US | disclosed |