Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL31729469 | 0.85 | L3MBTL1 (0.35) | L3MBTL1KDM4ETRPM4MAPTCYP1A2 | |
| SCHEMBL13379434 | 0.81 | KDM4E (0.40) | L3MBTL1KDM4EMAPTCYP1A2HTT | |
| SCHEMBL12849639 | 0.75 | MAPT (0.46) | L3MBTL1KDM4EMAPTCYP1A2HTT | |
| SCHEMBL16505189 | 0.74 | KDM4E (0.40) | L3MBTL1KDM4EMAPTCYP1A2ALDH1A1 | |
| SCHEMBL14723767 | 0.73 | CYP2C19 (0.38) | L3MBTL1KDM4EMAPTCYP1A2HTT | |
| SCHEMBL755479 | 0.73 | MEN1 (0.50) | KDM4EMAPTCYP1A2HTTIGF1R | |
| SCHEMBL14664101 | 0.71 | EGLN1 (0.45) | KDM4EMAPTCYP1A2HTTALDH1A1 | |
| SCHEMBL12798535 | 0.71 | KDM4E (0.40) | KDM4EMAPTCYP1A2HTTALDH1A1 | |
| SCHEMBL13387698 | 0.71 | PAK1 (0.41) | L3MBTL1KDM4EMAPTCYP1A2HTT | |
| SCHEMBL31547755 | 0.71 | KDM4E (0.57) | L3MBTL1KDM4EMAPTHTTIGF1R |
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 |