Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1134739 | 0.84 | NQO1 (0.44) | NQO1ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL24973122 | 0.81 | ALDH1A1 (0.53) | NQO1ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL27626362 | 0.80 | ALDH1A1 (0.36) | ALDH1A1HSD17B10KDM4EHPGDEGFR | |
| SCHEMBL8311153 | 0.80 | NQO1 (0.47) | NQO1ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL19355167 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HSD17B10KDM4EHPGDMEN1 | |
| SCHEMBL27937792 | 0.79 | HTR1B (0.49) | SLC6A4CYP2A6HTR1DHTR1B | |
| SCHEMBL1134741 | 0.77 | ALDH1A1 (0.48) | ALDH1A1HSD17B10KDM4EHPGDMEN1 | |
| SCHEMBL21120726 | 0.77 | MRGPRX4 (0.49) | ALDH1A1KDM4EHPGDSLC6A4MEN1 | |
| SCHEMBL4763704 | 0.77 | EGFR (0.33) | ALDH1A1HSD17B10KDM4EHPGDEGFR | |
| SCHEMBL29919905 | 0.76 | NQO1 (0.67) | NQO1ALDH1A1HSD17B10KDM4EHPGD |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230133581-A1 | Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same | HIROSHIMA UNIVERSITY (JP) | 2023-05-04 | — | — | US | disclosed |
| US-20230133581-A1 | Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same | HIROSHIMA UNIVERSITY (JP) | 2023-05-04 | — | — | US | disclosed |
| US-11078214-B2 | Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2021-08-03 | — | — | US | disclosed |
| US-10457688-B2 | Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2019-10-29 | — | — | US | disclosed |
| EP-3242872-B1 | (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER | GENENTECH INC (US) | 2019-07-03 | — | — | EP | disclosed |
| US-9994586-B2 | Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2018-06-12 | — | — | US | disclosed |
| US-9994586-B2 | Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2018-06-12 | — | — | US | disclosed |
| WO-2017031176-A1 | MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2017-02-23 | — | — | WO | disclosed |
| US-20170050978-A1 | Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2017-02-23 | — | — | US | disclosed |
| US-20170050978-A1 | Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2017-02-23 | — | — | 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 (4 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-20230133581-A1 | Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same | PIN1, DUSP15, FKBP1A | NQO1 1269/4885ALDH1A1 2183/4885HSD17B10 281/4885 |
| US-11078214-B2 | Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same | DPYD, TYMS, THPO | NQO1 586/4885ALDH1A1 1608/4885HSD17B10 1797/4885 |
| US-10457688-B2 | Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same | DPYD, TPX2, TYMS | NQO1 487/4885ALDH1A1 2459/4885HSD17B10 2891/4885 |
| US-20170050978-A1 | Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same | CYP4F3, TYMS, DPYD | NQO1 1411/4885ALDH1A1 1573/4885HSD17B10 3262/4885 |
“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.