Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15033397 | 1.00 | CYP19A1 (0.33) | CYP19A1CA1CA2CA4MCHR1 | |
| SCHEMBL14018563 | 0.87 | CYP1A2 (0.35) | CYP19A1CYP1A2 | |
| SCHEMBL10151543 | 0.87 | CYP1A2 (0.35) | CYP19A1CYP1A2 | |
| SCHEMBL10160046 | 0.87 | CYP1A2 (0.35) | CYP19A1CYP1A2 | |
| SCHEMBL21357953 | 0.85 | KDM4E (0.34) | CA1CA2CA4KDM4ECYP1A2 | |
| SCHEMBL16656747 | 0.83 | SMN1; SMN2 (0.35) | CYP1A2 | |
| SCHEMBL14017758 | 0.83 | SMN1; SMN2 (0.35) | CYP1A2 | |
| SCHEMBL18102782 | 0.83 | SMN1; SMN2 (0.35) | CYP1A2 | |
| SCHEMBL17266376 | 0.83 | SMN1; SMN2 (0.35) | CYP1A2 | |
| SCHEMBL19055312 | 0.81 | ALDH1A1 (0.39) | CYP19A1CA1CA2CA4KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2696679-B1 | 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME (US) | 2017-08-02 | — | — | EP | disclosed |
| EP-2685984-B1 | TETRACYCLIC XANTHENE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME (US) | 2016-11-02 | — | — | EP | disclosed |
| WO-2016094198-A1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-16 | — | — | WO | disclosed |
| WO-2016094197-A1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-16 | — | — | WO | disclosed |
| WO-2015073308-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2015-05-21 | — | — | WO | disclosed |
| WO-2014172188-A2 | 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-10-23 | — | — | 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-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-2014099586-A1 | 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014062596-A1 | 2'-METHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2014-04-24 | — | — | WO | disclosed |
| WO-2014011769-A1 | MACROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-01-16 | — | — | WO | disclosed |