Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13379481 | 0.92 | NPC1 (0.52) | NPC1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL31188287 | 0.91 | NPC1 (0.57) | NPC1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL18901985 | 0.85 | NPC1 (0.51) | NPC1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL27420162 | 0.84 | KMT2A (0.47) | NPC1MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL30877536 | 0.84 | KMT2A (0.47) | NPC1MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL26140160 | 0.82 | KDM4E (0.54) | NPC1LMNAKDM4EPABPC1ALDH1A1 | |
| SCHEMBL13230394 | 0.82 | KDM4E (0.71) | NPC1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL4229009 | 0.81 | KMT2A (0.55) | NPC1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL4229005 | 0.81 | KMT2A (0.55) | NPC1MEN1KMT2ALMNAKDM4E | |
| SCHEMBL1752680 | 0.80 | NPC1 (0.74) | NPC1MEN1KMT2ALMNAKDM4E |
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 |