Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3992623 | 0.89 | CYP3A4 (0.56) | CYP2D6SIGMAR1CYP3A4TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL25412712 | 0.88 | CYP3A4 (0.54) | CYP2D6SIGMAR1CYP3A4TSHRALDH1A1 | |
| SCHEMBL27619766 | 0.83 | SLC6A3 (0.61) | SIGMAR1 | |
| SCHEMBL13247626 | 0.83 | ALDH1A1 (0.59) | CYP2D6CYP3A4TSHRALDH1A1 | |
| SCHEMBL17533292 | 0.83 | POLB (0.47) | CYP2D6CYP3A4TSHRALDH1A1 | |
| SCHEMBL16416933 | 0.83 | ALDH1A1 (0.47) | CYP2D6CYP3A4TSHRALDH1A1 | |
| SCHEMBL24315810 | 0.83 | CYP2D6 (0.56) | CYP2D6SIGMAR1CYP3A4TSHRALDH1A1 | |
| SCHEMBL27010210 | 0.83 | CYP2D6 (0.52) | CYP2D6SIGMAR1CYP3A4TSHRALDH1A1 | |
| SCHEMBL18082561 | 0.82 | HRH3 (0.50) | ALDH1A1 | |
| SCHEMBL20803944 | 0.81 | ALDH1A1 (0.46) | CYP2D6TSHRALDH1A1 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117682981-A | Preparation method of gemagliptin prodrug | 中国科学院大连化学物理研究所 | 2024-03-12 | — | — | CN | claimed |
| CN-118256591-A | Cyclic peptide compound having high membrane permeability and library comprising same | 中外制药株式会社 | 2024-06-28 | — | — | CN | disclosed |
| CN-118184532-A | Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same | 中外制药株式会社 | 2024-06-14 | — | — | CN | disclosed |
| CN-113454058-B | Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same | 中外制药株式会社 | 2024-03-22 | — | — | CN | disclosed |
| CN-117682982-A | Method for preparing alpha-carbonyl difluoro modified glutarimide compound | 中国科学院大连化学物理研究所 | 2024-03-12 | — | — | CN | disclosed |
| CN-117682981-A | Preparation method of gemagliptin prodrug | 中国科学院大连化学物理研究所 | 2024-03-12 | — | — | CN | disclosed |
| CN-117682981-A | Preparation method of gemagliptin prodrug | 中国科学院大连化学物理研究所 | 2024-03-12 | — | — | CN | disclosed |
| CN-110869544-B | Cyclic peptide compound having high membrane permeability and library comprising same | 中外制药株式会社 | 2024-03-08 | — | — | CN | disclosed |
| US-20230096766-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2023-03-30 | — | — | US | disclosed |
| EP-3896056-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2021-10-20 | — | — | EP | disclosed |
| WO-2020122182-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | 中外製薬株式会社 | 2020-06-18 | — | — | WO | disclosed |
| US-20200131669-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2020-04-30 | — | — | US | disclosed |
| US-20200131669-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2020-04-30 | — | — | US | disclosed |
| EP-3636807-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | Chugai Seiyaku Kabushiki Kaisha (JP) | 2020-04-15 | — | — | EP | disclosed |
| EP-3636807-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | Chugai Seiyaku Kabushiki Kaisha (JP) | 2020-04-15 | — | — | EP | disclosed |
| CN-110869544-A | Cyclic peptide compound having high membrane permeability and library containing same | 中外制药株式会社 | 2020-03-06 | — | — | CN | disclosed |
| EP-1591443-B1 | PYRAZOLE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2010-08-25 | — | — | EP | disclosed |
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20060128685-A1 | Pyrazole derivative | DAIICHI PHARMACEUTICAL CO., LTD., (JP) | 2006-06-15 | — | — | US | disclosed |
| EP-1591443-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-11-02 | — | — | EP | 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 (3 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-20060128685-A1 | Pyrazole derivative | PTGS1, PTGS2, PTGER1 | CYP2D6 450/4885SIGMAR1 1082/4885CYP3A4 380/4885 |
| US-20200131669-A1 | CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME | VIP, SLC7A1, TRPV1 | CYP2D6 2748/4885SIGMAR1 2089/4885CYP3A4 2324/4885 |
| US-20230096766-A1 | AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF | VIP, DNPEP, HM13 | CYP2D6 4294/4885SIGMAR1 4246/4885CYP3A4 3318/4885 |
“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.