Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 8/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 7/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 7/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1244173 | 0.86 | IRAK4 (0.48) | IRAK4ALDH1A1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL2744222 | 0.83 | PLG (0.37) | IRAK4 | |
| SCHEMBL3502900 | 0.79 | RXFP1 (0.35) | ALDH1A1RXFP1KMT2AKDM4E | |
| SCHEMBL8246884 | 0.79 | PIK3CD (0.49) | IRAK4ALDH1A1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL4531833 | 0.76 | RXFP1 (0.46) | ALDH1A1USP2RXFP1KMT2A | |
| Hydrochloric Acid SCHEMBL4603256 | 0.75 | IRAK4 (0.47) | IRAK4ALDH1A1USP2CYP1A2CYP3A4 | |
| SCHEMBL25342628 | 0.75 | HCRTR1 (0.46) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL3501306 | 0.74 | KDR (0.32) | — | |
| SCHEMBL3503157 | 0.74 | KDR (0.31) | — | |
| SCHEMBL28842110 | 0.74 | POLB (0.40) | KMT2ASMN1; SMN2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1913016-B1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-01-16 | — | — | EP | disclosed |
| US-8278322-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-10-02 | — | — | US | disclosed |
| EP-1913016-A1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007016441-A1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |