Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL822282 | 0.81 | ALDH1A1 (0.42) | ALDH1A1DPP4 | |
| SCHEMBL8388878 | 0.77 | CA12 (0.45) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL18737305 | 0.75 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24636173 | 0.75 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL23982216 | 0.73 | CA12 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19364754 | 0.71 | CA12 (0.38) | CA12CA1CA2CA9 | |
| SCHEMBL12512083 | 0.70 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL30409888 | 0.70 | CA12 (0.38) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2305368 | 0.69 | CYP1A2 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL5478924 | 0.69 | CYP1A2 (0.39) | CA12CA1CA2CA9ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268525-B1 | MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING N-CYCLIC P2 MOIETIES | SCHERING CORP (US) | 2008-12-31 | — | — | EP | disclosed |