Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.52 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL18887480 | 0.96 | KDM4E (0.59) | ALDH1A1KDM4ELMNAPABPC1ITGB1 | |
| SCHEMBL18887509 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNAPABPC1ITGB1 | |
| SCHEMBL18887481 | 0.92 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAPABPC1ITGB1 | |
| SCHEMBL13379342 | 0.91 | PABPC1 (0.67) | ALDH1A1KDM4ELMNAPABPC1ITGB1 | |
| SCHEMBL18887528 | 0.90 | HPGD (0.52) | ALDH1A1KDM4ELMNAPABPC1ITGB1 | |
| SCHEMBL14723759 | 0.90 | ALDH1A1 (0.59) | ALDH1A1KDM4ELMNAPABPC1ITGB1 | |
| SCHEMBL13388285 | 0.89 | ALDH1A1 (0.47) | ALDH1A1KDM4ELMNAPABPC1ITGB1 | |
| SCHEMBL18887502 | 0.87 | HIF1A (0.48) | ALDH1A1KDM4ELMNAPABPC1HSD17B10 | |
| SCHEMBL12619063 | 0.87 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNAPABPC1ITGB1 | |
| SCHEMBL845226 | 0.86 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAPABPC1ITGB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2328865-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |
| EP-2328865-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |
| 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 |