Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13684429 | 0.81 | ALDH1A1 (0.37) | CETPMMELMNAALDH1A1MEN1 | |
| SCHEMBL13686213 | 0.80 | NPSR1 (0.30) | — | |
| SCHEMBL19113446 | 0.80 | CYP2C19 (0.38) | CETPMMECYP2C9LMNAALDH1A1 | |
| SCHEMBL5220339 | 0.79 | HTT (0.38) | CETPMMELMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL16349614 | 0.78 | NPSR1 (0.31) | — | |
| SCHEMBL6565141 | 0.78 | CETP (0.34) | CETPMMELMNAMEN1POLB | |
| SCHEMBL27743390 | 0.78 | ALDH1A1 (0.39) | CETPMMELMNAUSP2ALDH1A1 | |
| SCHEMBL19113193 | 0.77 | EPHX1 (0.43) | USP2ALDH1A1MEN1POLBKMT2A | |
| SCHEMBL23573562 | 0.77 | MME (0.37) | CETPMMELMNAALDH1A1 | |
| SCHEMBL16349613 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |