Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 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 | |
|---|---|---|---|---|
| SCHEMBL9977800 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL20104022 | 0.81 | TLR4 (0.43) | CYP2D6KMT2ATLR4 | |
| SCHEMBL12441829 | 0.81 | TLR4 (0.43) | CYP2D6KMT2ATLR4 | |
| SCHEMBL18567338 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL6024211 | 0.68 | CYP2D6 (0.43) | CYP2D6KMT2A | |
| SCHEMBL24829901 | 0.67 | ALDH1A1 (0.35) | KMT2ATLR4 | |
| SCHEMBL1129322 | 0.67 | ALDH1A1 (0.44) | KMT2ATLR4 | |
| SCHEMBL29263995 | 0.67 | ALDH1A1 (0.44) | KMT2ATLR4 | |
| SCHEMBL20980105 | 0.66 | ALDH1A1 (0.34) | KMT2ATLR4 | |
| SCHEMBL15415140 | 0.66 | TLR4 (0.46) | CYP2D6KMT2ATLR4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083117-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |