Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | CPB1 | P15086 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9937871 | 0.95 | ALDH1A1 (0.56) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL6127603 | 0.89 | CPB1 (0.56) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL16199397 | 0.89 | CPB1 (0.56) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL16199089 | 0.89 | CPB1 (0.56) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL3219056 | 0.87 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL3204209 | 0.87 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL3223441 | 0.87 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL19437142 | 0.87 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL3203924 | 0.87 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL4386420 | 0.87 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1CPB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651940-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Incorporated (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083117-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |