Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | POLB | P06746 | 4/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL17474773 | 0.95 | HPGD (0.54) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL17488503 | 0.95 | HPGD (0.54) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL13379357 | 0.90 | NPC1 (0.50) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL845120 | 0.90 | HPGD (0.47) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL18887497 | 0.87 | HPGD (0.46) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL845476 | 0.87 | HPGD (0.46) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL2192575 | 0.86 | HPGD (0.65) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL14827626 | 0.86 | HPGD (0.65) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL14648037 | 0.86 | HPGD (0.65) | HPGDALDH1A1POLBF2NPC1 | |
| SCHEMBL14648053 | 0.86 | HPGD (0.65) | HPGDALDH1A1POLBF2NPC1 |
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 |