Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953219 | 1.00 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL28301564 | 0.87 | PTGS2 (0.43) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL2650696 | 0.82 | CYP11B1 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL20541087 | 0.81 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL30026143 | 0.81 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL28019540 | 0.80 | CYP11B1 (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL23152013 | 0.80 | NOTUM (0.44) | ALDH1A1SMN1; SMN2LMNATP53MAPT | |
| SCHEMBL28019022 | 0.80 | CYP11B1 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL21110859 | 0.79 | CYP2A6 (0.67) | CYP2A6CYP3A4ALDH1A1CYP1A2PTGS2 | |
| SCHEMBL21933 | 0.79 | ALDH1A1 (0.48) | CYP2A6ALDH1A1PTGS2HPGDSMN1; SMN2 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11891361-B2 | Heterocyclic compound and organic light emitting device comprising same | LT MATERIALS CO., LTD. (KR) | 2024-02-06 | — | — | US | disclosed |
| CN-115417857-B | Piperidine alkaloid in Chinese medicinal Alangium chinense and extraction purification and semisynthesis method and application thereof | 贵州中医药大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-115417857-A | Piperidine alkaloid in traditional Chinese medicine alangium chinense, and extraction, purification and semisynthesis method and application thereof | 贵州中医药大学 | 2022-12-02 | — | — | CN | disclosed |
| CN-113072552-B | Beta-carboline GSK3 beta/DYRK 1A dual inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease | 中国人民解放军北部战区总医院 | 2022-11-04 | — | — | CN | disclosed |
| CN-114853672-A | Tacrine derivatives as CDKs inhibitors and application thereof | 中国人民解放军北部战区总医院 | 2022-08-05 | — | — | CN | disclosed |
| CN-113072552-A | Beta-carboline GSK3 beta/DYRK 1A dual inhibitor, preparation method thereof and application thereof in resisting Alzheimer disease | 中国人民解放军北部战区总医院 | 2021-07-06 | — | — | CN | disclosed |
| WO-2021057550-A1 | ORGANIC COMPOUND AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2021-04-01 | — | — | WO | disclosed |
| CN-111039881-B | Organic compound and electronic device | 陕西莱特光电材料股份有限公司 | 2021-01-01 | — | — | CN | disclosed |
| CN-111183134-A | Heterocyclic compound and organic light-emitting device comprising the same | LT素材株式会社 | 2020-05-19 | — | — | CN | disclosed |
| US-20200131133-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | HEESUNG MATERIAL LTD. (KR) | 2020-04-30 | — | — | US | disclosed |
| EP-2419401-A2 | GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS | XenoPort, Inc. (US) | 2012-02-22 | — | — | EP | disclosed |
| US-20120035139-A9 | GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS | XENOPORT, INC. | 2012-02-09 | — | — | US | disclosed |
| US-20110160207-A1 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2011-06-30 | — | — | US | disclosed |
| US-7935696-B2 | e.g. 5-(4-Chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboxamide; p38 alpha and beta kinase inhibitor; antiinflammatory agent; asthma, inflammatory bowel disease, osteoporosis, psoriasis, graft vs. host rejection, atherosclerosis, multiple myeloma, pain, myocardial ischemia | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-03 | — | — | US | disclosed |
| US-20100267676-A1 | GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS | XENOPORT, INC. | 2010-10-21 | — | — | US | disclosed |
| WO-2010120370-A2 | GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS | XENOPORT, INC. (US) | 2010-10-21 | — | — | WO | disclosed |
| EP-2083816-A2 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-08-05 | — | — | EP | disclosed |
| US-20080171741-A1 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2008-07-17 | — | — | US | disclosed |
| WO-2008057775-A2 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |
| WO-2005009104-A2 | BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS | LIGAND PHARMACUETICALS INCORPORATED (US) | 2005-02-03 | — | — | 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 (6 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-20080171741-A1 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | MAP3K1, MAP3K8, MAP3K20 | CYP2A6 1569/4885CYP3A4 1697/4885ALDH1A1 1140/4885 |
| US-11891361-B2 | Heterocyclic compound and organic light emitting device comprising same | CRY1, CYP1A1, CYP1B1 | CYP2A6 80/4885CYP3A4 12/4885ALDH1A1 8/4885 |
| US-20200131133-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | CRY1, CYP1A1, CYP1B1 | CYP2A6 80/4885CYP3A4 12/4885ALDH1A1 8/4885 |
| US-20100267676-A1 | GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS | GABRB2, GABRB1, GABRB3 | CYP2A6 1328/4885CYP3A4 1948/4885ALDH1A1 1314/4885 |
| US-20120035139-A9 | GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS | GABRB2, GABRB1, GABRB3 | CYP2A6 1328/4885CYP3A4 1948/4885ALDH1A1 1314/4885 |
| US-20110160207-A1 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | MAP3K1, MAP3K8, MAP3K20 | CYP2A6 1569/4885CYP3A4 1697/4885ALDH1A1 1140/4885 |
“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.