Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 6/20 | 0.53 |
| ▸ | CA2 | P00918 | 6/20 | 0.53 |
| ▸ | CA9 | Q16790 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | MPO | P05164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9911464 | 0.86 | POLB (0.62) | POLBMAPK1TSHRCYP2D6HIF1A | |
| SCHEMBL8664628 | 0.84 | POLB (0.60) | POLBMAPK1TSHRCYP2D6HIF1A | |
| SCHEMBL28029432 | 0.83 | POLB (0.64) | POLBMAPK1TSHRCYP2D6HIF1A | |
| SCHEMBL9178086 | 0.82 | POLB (0.58) | POLBMAPK1TSHRCYP2D6HIF1A | |
| Hydrochloric Acid SCHEMBL8945384 | 0.81 | POLB (0.61) | POLBMAPK1TSHRCYP2D6HIF1A | |
| SCHEMBL13133346 | 0.81 | POLB (0.66) | POLBMAPK1TSHRCYP2D6HIF1A | |
| SCHEMBL172673 | 0.81 | POLB (0.66) | POLBMAPK1TSHRCYP2D6HIF1A | |
| SCHEMBL170949 | 0.81 | POLB (0.66) | POLBMAPK1TSHRCYP2D6HIF1A | |
| SCHEMBL13257871 | 0.81 | POLB (0.66) | POLBMAPK1TSHRCYP2D6HIF1A | |
| SCHEMBL19091174 | 0.81 | POLB (0.66) | POLBMAPK1TSHRCYP2D6HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2547645-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV | Janssen Pharmaceuticals, Inc. (US) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011113859-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2011-09-22 | — | — | WO | disclosed |