Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | GPR183 | P32249 | 1/20 | 0.33 |
| ▸ | OGG1 | O15527 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | EPM2A | O95278 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL23536244 | 0.78 | CA1 (0.42) | CA2CA1CA5ACA9CYP2A6 | |
| SCHEMBL2007205 | 0.77 | ALDH1A1 (0.50) | CA2CA1CA5ACA9CYP2A6 | |
| SCHEMBL2397571 | 0.77 | KCNN4 (0.43) | CA2CA1CA9CES2CES1 | |
| Formic Acid SCHEMBL31514292 | 0.76 | CES2 (0.46) | CA2CA1CA5ACA9TRPV1 | |
| SCHEMBL16147297 | 0.75 | CA2 (0.48) | CA2CA1CA5ACA9CYP2A6 | |
| SCHEMBL8581116 | 0.75 | HSD17B10 (0.44) | CYP2A6MAPK1CYP19A1 | |
| SCHEMBL17996511 | 0.74 | CA2 (0.52) | CA2CA1CA5ACA9CYP2A6 | |
| SCHEMBL3671873 | 0.74 | ESR1 (0.56) | CA2CA1CA5ACA9CYP2A6 | |
| SCHEMBL3365770 | 0.74 | CYP2A6 (0.44) | CA2CA1CA5ACA9CYP2A6 | |
| SCHEMBL21791779 | 0.73 | CA1 (0.50) | CA2CA1CA5ACA9CYP2A6 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023235305-A2 | SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | Lysoway Therapeutics, Inc. (US) | 2023-12-07 | — | — | WO | disclosed |
| EP-3774789-A1 | BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE | Arvinas Operations, Inc. (US) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019195201-A1 | BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE | ARVINAS OPERATIONS, INC. (US) | 2019-10-10 | — | — | WO | disclosed |
| EP-2976340-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-01-27 | — | — | EP | disclosed |
| WO-2014146490-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014146246-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | WO | disclosed |
| EP-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| EP-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | disclosed |
| EP-2091937-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | Merck & Co., Inc. (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008051406-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |
| EP-1893562-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | Merck Frosst Canada Ltd. (CA) | 2008-03-05 | — | — | EP | disclosed |
| EP-1817276-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006056047-A9 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2007-06-21 | — | — | WO | disclosed |
| WO-2006133559-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | MERCK FROSST CANADA LTD. (CA) | 2006-12-21 | — | — | WO | disclosed |
| WO-2006056047-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2006-06-01 | — | — | WO | disclosed |