Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2173729 | 0.81 | CA2 (0.55) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL29733396 | 0.81 | CA2 (0.55) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL4956835 | 0.74 | CA2 (0.48) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL1227487 | 0.72 | CYP3A4 (0.52) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL846360 | 0.70 | CA2 (0.44) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL3889145 | 0.70 | CA2 (0.44) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL7812902 | 0.70 | CA2 (0.44) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL232481 | 0.70 | CA2 (0.44) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL11350253 | 0.70 | CYP3A4 (0.50) | CA2CA4CA5APTK2BPOLB | |
| SCHEMBL3365510 | 0.70 | CA2 (0.44) | CA2CA4CA5APTK2BPOLB |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114716386-A | Novel exosome inhibitor and preparation method thereof | 北京和理咨询有限公司 | 2022-07-08 | — | — | CN | claimed |
| WO-2008031888-A2 | CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS | CAMPIANI GIUSEPPE (IT) | 2008-03-20 | — | — | WO | claimed |
| CN-116622005-A | Polymer prodrug compound and preparation method thereof, and polymer prodrug micelle and preparation method thereof | 成都普康生物科技有限公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-114716386-A | Novel exosome inhibitor and preparation method thereof | 北京和理咨询有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-107847607-B | Aptamer conjugate of paclitaxel or derivative thereof, and preparation method and application thereof | 北京盈科瑞创新医药股份有限公司 | 2020-11-20 | — | — | CN | disclosed |
| CN-110483531-B | Water-soluble porphyrin alkene derivative, preparation method, antitumor drug and application | 李德芳 | 2020-08-04 | — | — | CN | disclosed |
| CN-108627647-A | A kind of detection of posttranslational modification proteomics and quantitative approach | 四川大学 | 2018-10-09 | — | — | CN | disclosed |
| EP-1730228-B1 | NANO-COMPOSITE AND METHOD THEREOF | BRIDGESTONE CORP (JP) | 2012-08-15 | — | — | EP | disclosed |
| US-7579398-B2 | Nano-composite and compositions therefrom | BRIDGESTONE CORPORATION (JP) | 2009-08-25 | — | — | US | disclosed |
| US-7572855-B2 | Nano-composite and compositions manufactured thereof | BRIDGESTONE CORPORATION (JP) | 2009-08-11 | — | — | US | disclosed |
| US-20090182087-A1 | NANO-COMPOSITE AND COMPOSITIONS THEREFROM | BRIDGESTONE CORPORATION (JP) | 2009-07-16 | — | — | US | disclosed |
| WO-2008031888-A2 | CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS | CAMPIANI GIUSEPPE (IT) | 2008-03-20 | — | — | WO | disclosed |
| EP-1730228-A1 | NANO-COMPOSITE AND METHOD THEREOF | Bridgestone Corporation (JP) | 2006-12-13 | — | — | EP | disclosed |
| US-20060173115-A1 | Nano-composite and compositions manufactured thereof | BRIDGESTONE CORPORATION (JP) | 2006-08-03 | — | — | US | disclosed |
| WO-2005095506-A1 | NANO-COMPOSITE AND METHOD THEREOF | BRIDGESTONE CORPORATION (JP) | 2005-10-13 | — | — | WO | disclosed |
| US-20020055536-A1 | System and method for structure-based drug design that includes accurate prediction of binding free energy | DEWITTE ROBERT S (US) | 2002-05-09 | — | — | US | disclosed |
| EP-1140737-A2 | SYSTEM AND METHOD FOR STRUCTURE-BASED DRUG DESIGN THAT INCLUDES ACCURATE PREDICTION OF BINDING FREE ENERGY | HARVARD UNIVERSITY (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039751-A2 | SYSTEM AND METHOD FOR STRUCTURE-BASED DRUG DESIGN THAT INCLUDES ACCURATE PREDICTION OF BINDING FREE ENERGY | HARVARD UNIVERSITY (US) | 2000-07-06 | — | — | WO | disclosed |
| US-5449736-A | Heat resistant and hydrophobic fluids as dielectrics | RESEARCH FOUNDATION OF THE STATE OF NEW YORK (US) | 1995-09-12 | — | — | US | 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 (1 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-20020055536-A1 | System and method for structure-based drug design that includes accurate prediction of binding free energy | ABCG2, LSS, FARS2 | CA2 4261/4885CA4 4112/4885CA5A 2632/4885 |
“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.