Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13379434 | 0.85 | KDM4E (0.40) | CYP2C19KDM4EL3MBTL1KMT2AMAPK1 | |
| SCHEMBL13387698 | 0.79 | PAK1 (0.41) | CYP2C19KDM4EL3MBTL1KMT2AMAPK1 | |
| SCHEMBL12849639 | 0.77 | MAPT (0.46) | CYP2C19KDM4EL3MBTL1KMT2AMEN1 | |
| SCHEMBL16505479 | 0.75 | KDM4E (0.56) | KDM4EL3MBTL1KMT2AMAPK1MEN1 | |
| SCHEMBL21939652 | 0.75 | ALDH1A1 (0.52) | CYP2C19RIPK1KDM4EL3MBTL1KMT2A | |
| SCHEMBL755479 | 0.75 | MEN1 (0.50) | CYP2C19KDM4EKMT2AMEN1HTT | |
| SCHEMBL16008196 | 0.73 | KDM4E (0.57) | KDM4EL3MBTL1KMT2AMEN1HTT | |
| SCHEMBL31547755 | 0.73 | KDM4E (0.57) | KDM4EL3MBTL1KMT2AMEN1HTT | |
| SCHEMBL14723648 | 0.73 | L3MBTL1 (0.34) | CYP2C19KDM4EL3MBTL1KMT2AMEN1 | |
| SCHEMBL12798535 | 0.73 | KDM4E (0.40) | CYP2C19KDM4EKMT2ATSPOMEN1 |
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-8383094-B2 | inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |