Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 5/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28140063 | 0.82 | CYP2C9 (0.48) | KEAP1NFE2L2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL29009777 | 0.81 | SRC (0.38) | KEAP1NFE2L2LMNA | |
| SCHEMBL9157493 | 0.79 | HDAC3 (0.47) | ALDH1A1SMN1; SMN2LMNACES2CES1 | |
| SCHEMBL1142809 | 0.79 | SRC (0.55) | ALDH1A1LMNACYP2C19CES2SRD5A2 | |
| SCHEMBL28232476 | 0.78 | SRC (0.56) | KEAP1NFE2L2LMNACYP2C19CES2 | |
| SCHEMBL28232530 | 0.78 | SRC (0.56) | KEAP1NFE2L2LMNACYP2C19CES2 | |
| SCHEMBL241909 | 0.78 | SRC (0.56) | KEAP1NFE2L2LMNACYP2C19CES2 | |
| SCHEMBL28403042 | 0.78 | CES2 (0.52) | KEAP1NFE2L2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL600979 | 0.78 | KEAP1 (0.47) | KEAP1NFE2L2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL11405448 | 0.77 | CYP2C9 (0.46) | LMNACYP2C19POLBCES2CES1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109809383-A | A kind of synthetic method of anti-cabbage black rot bacterium selenium carbon material | 扬州大学 | 2019-05-28 | — | — | CN | claimed |
| CN-109809383-A | A kind of synthetic method of anti-cabbage black rot bacterium selenium carbon material | 扬州大学 | 2019-05-28 | — | — | CN | disclosed |
| US-9688683-B2 | Substituted condensed pyrimidine compounds | Grünenthal GmbH (DE) | 2017-06-27 | — | — | US | disclosed |
| US-9670189-B2 | Substituted condensed pyrimidine compounds | Grünenthal GmbH (DE) | 2017-06-06 | — | — | US | disclosed |
| US-9505724-B2 | 4-amino substituted condensed pyrimidine compounds as PDE4 inhibitors | Grünenthal GmbH (DE) | 2016-11-29 | — | — | US | disclosed |
| US-20160152624-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-06-02 | — | — | US | disclosed |
| US-20150353507-A1 | 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS | Grünenthal GmbH (DE) | 2015-12-10 | — | — | US | disclosed |
| US-8252559-B2 | Methods and systems for selective fluorination of organic molecules | THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-08-28 | — | — | US | disclosed |
| US-8026085-B2 | Methods and systems for selective fluorination of organic molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2011-09-27 | — | — | US | disclosed |
| US-20090209010-A1 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-08-20 | — | — | US | disclosed |
| EP-2069513-A2 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | California Institute of Technology (US) | 2009-06-17 | — | — | EP | disclosed |
| US-20090061471-A1 | Methods and systems for selective fluorination of organic molecules | INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT | 2009-03-05 | — | — | US | disclosed |
| WO-2008016709-A9 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | CALIFORNIA INST OF TECHN (US) | 2008-05-29 | — | — | WO | disclosed |
| WO-2008016709-A2 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-02-07 | — | — | 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-20160152624-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | PDE4A, PDE4B, TYMP | KEAP1 2336/4885NFE2L2 1396/4885ALDH1A1 462/4885 |
| US-20150353507-A1 | 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS | PDE4A, PDE4B, PDE12 | KEAP1 2115/4885NFE2L2 1604/4885ALDH1A1 366/4885 |
“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.