Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | CPT2 | P23786 | 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 | |
|---|---|---|---|---|
| SCHEMBL10086047 | 0.89 | — | — | |
| SCHEMBL24773851 | 0.83 | — | — | |
| SCHEMBL21094212 | 0.78 | MCL1 (0.34) | — | |
| SCHEMBL13207989 | 0.78 | — | — | |
| SCHEMBL2612030 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1KDM4EFFAR1CPT2 | |
| SCHEMBL12901254 | 0.77 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL13226040 | 0.76 | TDP1 (0.39) | TDP1 | |
| SCHEMBL13267351 | 0.75 | SMN1; SMN2 (0.36) | ALDH1A1 | |
| SCHEMBL12603930 | 0.74 | — | — | |
| SCHEMBL13251256 | 0.74 | ALDH1A1 (0.33) | ALDH1A1TDP1KDM4EFFAR1CPT2 |
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-2468744-A2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-27 | — | — | EP | disclosed |