Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1701126 | 0.84 | SHBG (0.50) | CES2CES1SHBG | |
| SCHEMBL4063849 | 0.84 | KDM1A (0.33) | SHBG | |
| SCHEMBL6865041 | 0.84 | VCP (0.38) | — | |
| SCHEMBL20722071 | 0.82 | PSEN1 (0.35) | — | |
| SCHEMBL15017386 | 0.82 | AKR1C3 (0.35) | SHBGAKR1C3AKR1C2 | |
| SCHEMBL1701138 | 0.82 | MDM2 (0.40) | — | |
| SCHEMBL3973135 | 0.82 | PSEN1 (0.35) | — | |
| SCHEMBL20551738 | 0.80 | KIF11 (0.36) | AKR1C3AKR1C2 | |
| SCHEMBL20551077 | 0.80 | KIF11 (0.46) | — | |
| SCHEMBL474259 | 0.80 | KIF11 (0.46) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3997096-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-05-18 | — | — | EP | disclosed |
| WO-2021005034-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2021-01-14 | — | — | WO | disclosed |
| EP-3619209-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | Glenmark Pharmaceuticals S.A. (CH) | 2020-03-11 | — | — | EP | disclosed |
| WO-2020020097-A1 | PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST | BEIGENE, LTD. (KY) | 2020-01-30 | — | — | WO | disclosed |
| WO-2018203298-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-11-08 | — | — | WO | disclosed |
| WO-2017127627-A1 | COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2017-07-27 | — | — | WO | disclosed |
| EP-2451814-A2 | FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA | IRM LLC (BM) | 2012-05-16 | — | — | EP | disclosed |
| EP-2323978-A1 | AMIDE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2011006143-A2 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | IRM LLC (BM) | 2011-01-13 | — | — | WO | disclosed |
| EP-2265606-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-12-29 | — | — | EP | disclosed |
| EP-2083623-A1 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | Merck & Co., Inc. (US) | 2009-08-05 | — | — | EP | disclosed |
| EP-2066641-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008145596-A1 | PIPERIDINE-AMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-04 | — | — | WO | disclosed |
| EP-1973913-A1 | INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2008-10-01 | — | — | EP | disclosed |
| WO-2008051405-A1 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |
| WO-2008042388-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2008-04-10 | — | — | WO | disclosed |
| WO-2007096764-A2 | BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS | GLENMARK PHARMACEUTICALS S.A. (US) | 2007-08-30 | — | — | WO | disclosed |
| WO-2007077122-A1 | INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-07-12 | — | — | WO | disclosed |
| EP-1358169-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057261-A2 | DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-25 | — | — | WO | disclosed |