Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | EEF2K | O00418 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20551403 | 1.00 | CES2 (0.40) | CES2CES1IDO1TDO2MEN1 | |
| SCHEMBL20550915 | 0.83 | CES2 (0.43) | CES2CES1ERN1 | |
| SCHEMBL9655198 | 0.78 | IDO1 (0.36) | CES2CES1IDO1TDO2MEN1 | |
| SCHEMBL9347326 | 0.77 | CES2 (0.42) | CES2CES1IDO1TDO2MEN1 | |
| SCHEMBL10750072 | 0.77 | CES2 (0.42) | CES2CES1IDO1TDO2MEN1 | |
| SCHEMBL5241189 | 0.76 | ALDH1A1 (0.32) | ALDH1A1CYP2C9 | |
| SCHEMBL14843847 | 0.76 | CES2 (0.39) | CES2CES1NFE2L2ERN1 | |
| SCHEMBL13278755 | 0.76 | CES2 (0.41) | CES2CES1IDO1TDO2MEN1 | |
| SCHEMBL21495057 | 0.76 | IDO1 (0.37) | IDO1TDO2ALDH1A1CYP3A4GAA | |
| SCHEMBL166469 | 0.76 | IDO1 (0.37) | IDO1TDO2ALDH1A1CYP3A4GAA |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3829559-A1 | INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION | Merck Sharp & Dohme Corp. (US) | 2021-06-09 | — | — | EP | disclosed |
| EP-3619209-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | Glenmark Pharmaceuticals S.A. (CH) | 2020-03-11 | — | — | EP | disclosed |
| WO-2020028150-A1 | INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION | MERCK SHARP & DOHME CORP. (US) | 2020-02-06 | — | — | WO | disclosed |
| WO-2020020097-A1 | PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST | BEIGENE, LTD. (KY) | 2020-01-30 | — | — | WO | disclosed |
| US-10308605-B2 | Proton pump inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-06-04 | — | — | US | disclosed |
| WO-2018203298-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-11-08 | — | — | WO | disclosed |
| EP-3237385-A1 | MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER | The United States of America, as represented by The Secretary, Department of Health and Human Services (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-3209664-A1 | BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-08-30 | — | — | EP | disclosed |
| EP-3193882-A1 | COMBINATION ALZHEIMER THERAPY USING ANTI-N3PGLU ABETA ANTIBODIES + A BACE INHIBITOR | Eli Lilly and Company (US) | 2017-07-26 | — | — | EP | disclosed |
| EP-2196459-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-11-02 | — | — | EP | disclosed |
| EP-1973913-A1 | INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2008-10-01 | — | — | EP | disclosed |
| US-20080139639-A1 | 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-06-12 | — | — | US | 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 |
| EP-1904491-A2 | HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2008-04-02 | — | — | EP | disclosed |
| EP-1813606-A1 | AMIDE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2007-08-01 | — | — | EP | disclosed |
| WO-2007077122-A1 | INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-07-12 | — | — | WO | disclosed |
| EP-1803709-A1 | PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006130493-A2 | HETEROCYCLES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-12-07 | — | — | WO | disclosed |
| EP-1406897-A2 | COMPOUNDS | SmithKline Beecham plc (GB) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003002559-A2 | PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-01-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10308605-B2 | Proton pump inhibitors | HRH2, HRH4, HRH1 | CES2 1015/4885CES1 163/4885IDO1 1893/4885 |
| US-20080139639-A1 | 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use | PTGER1, PTGER3, NR3C1 | CES2 3400/4885CES1 848/4885IDO1 1339/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.