Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.80 |
| ▸ | ADA | P00813 | 1/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | AHCY | P23526 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14589609 | 1.00 | ADORA2A (0.80) | ADORA2AADAADORA3ADORA1ADORA2B | |
| SCHEMBL15908433 | 1.00 | ADORA2A (0.80) | ADORA2AADAADORA3ADORA1ADORA2B | |
| SCHEMBL10169502 | 1.00 | ADORA2A (0.80) | ADORA2AADAADORA3ADORA1ADORA2B | |
| SCHEMBL474849 | 1.00 | ADORA2A (0.80) | ADORA2AADAADORA3ADORA1ADORA2B | |
| SCHEMBL10137892 | 1.00 | ADORA2A (0.80) | ADORA2AADAADORA3ADORA1ADORA2B | |
| 2'-B-Methyl-Guanosine SCHEMBL11888942 | 0.90 | ADORA2A (0.69) | ADORA2AADAADORA3ADORA1ADORA2B | |
| 2'-B-Methyl-Guanosine SCHEMBL939849 | 0.90 | ADORA2A (0.69) | ADORA2AADAADORA3ADORA1ADORA2B | |
| 2'-B-Methyl-Guanosine SCHEMBL10316549 | 0.90 | ADORA2A (0.69) | ADORA2AADAADORA3ADORA1ADORA2B | |
| SCHEMBL29848577 | 0.90 | ADORA2A (0.78) | ADORA2AADAADORA3ADORA1ADORA2B | |
| SCHEMBL28952403 | 0.90 | ADORA2A (0.78) | ADORA2AADAADORA3ADORA1ADORA2B |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2953462-A2 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | Merck Sharp & Dohme Corp. (US) | 2015-12-16 | — | — | EP | disclosed |
| EP-2953456-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | Merck Sharp & Dohme Corp. (US) | 2015-12-16 | — | — | EP | disclosed |
| EP-2953461-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | Merck Sharp & Dohme Corp. (US) | 2015-12-16 | — | — | EP | disclosed |
| WO-2014123793-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2014-08-14 | — | — | WO | disclosed |
| WO-2014123794-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2014-08-14 | — | — | WO | disclosed |
| WO-2014123795-A2 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2014-08-14 | — | — | WO | disclosed |
| EP-2618665-A1 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-31 | — | — | EP | disclosed |
| EP-2542545-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | disclosed |
| WO-2012040040-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-03-29 | — | — | WO | disclosed |
| WO-2011106992-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |