Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29759333 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL4596400 | 0.83 | TDP1 (0.34) | HTTMEN1KMT2AGAAHTR6 | |
| SCHEMBL1868968 | 0.83 | GAA (0.40) | CA1CA2CA9HTTMEN1 | |
| SCHEMBL25402470 | 0.79 | KHK (0.36) | CA1CA2CA9HTTMEN1 | |
| SCHEMBL31206751 | 0.79 | CYP3A4 (0.37) | ALDH1A1CYP3A4HTTMEN1KMT2A | |
| SCHEMBL3208148 | 0.79 | CYP3A4 (0.37) | ALDH1A1CYP3A4HTTMEN1KMT2A | |
| SCHEMBL18337885 | 0.74 | CCR4 (0.36) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL30929289 | 0.74 | CCR4 (0.36) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL25404179 | 0.74 | — | — | |
| SCHEMBL22715880 | 0.74 | CYP1A2 (0.36) | ALDH1A1CYP3A4MEN1KMT2AHTR6 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117510429-A | Compound containing methyl isoxazole structure, and preparation method and application thereof | 中国农业大学 | 2024-02-06 | — | — | CN | claimed |
| EP-4263750-B1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2025-06-04 | — | — | EP | disclosed |
| US-20250051301-A1 | MUTANT IDH1 AND IDH2 INHIBITOR AND APPLICATION THEREOF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2025-02-13 | — | — | US | disclosed |
| US-12077703-B2 | Heteroaromatic isothiocyanates | MERCK PATENT GMBH (DE) | 2024-09-03 | — | — | US | disclosed |
| US-20240124780-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2024-04-18 | — | — | US | disclosed |
| CN-117510429-A | Compound containing methyl isoxazole structure, and preparation method and application thereof | 中国农业大学 | 2024-02-06 | — | — | CN | disclosed |
| EP-4263750-A1 | HETEROAROMATIC ISOTHIOCYANATES | Merck Patent GmbH (DE) | 2023-10-25 | — | — | EP | disclosed |
| CN-116583578-A | Heteroaromatic isothiocyanates | 默克专利股份有限公司 | 2023-08-11 | — | — | CN | disclosed |
| WO-2022146698-A1 | SOS1 INHIBITORS AND USES THEREOF | Revolution Medicines, Inc. (US) | 2022-07-07 | — | — | WO | disclosed |
| WO-2022128845-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| US-20080242685-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-10-02 | — | — | US | disclosed |
| US-20080242685-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-10-02 | — | — | US | disclosed |
| EP-1940296-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007114848-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-11 | — | — | WO | disclosed |
| WO-2007114848-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-11 | — | — | WO | disclosed |
| EP-1054887-B1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2006-04-12 | — | — | EP | disclosed |
| US-6583154-B1 | Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines | AMGEN INC. | 2003-06-24 | — | — | US | disclosed |
| US-6187777-B1 | PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS | AMGEN INC. | 2001-02-13 | — | — | US | disclosed |
| EP-1054887-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | Amgen Inc. (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999040091-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | AMGEN INC. (US) | 1999-08-12 | — | — | 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 (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-20240124780-A1 | HETEROAROMATIC ISOTHIOCYANATES | TRPA1, CRY1, FOXM1 | ALDH1A1 1450/4885CYP3A4 1341/4885CA1 1479/4885 |
| US-20080242685-A1 | Chemical Compounds | NFKBIA, IKBKG, NFKB2 | ALDH1A1 1519/4885CYP3A4 1275/4885CA1 3827/4885 |
| US-20250051301-A1 | MUTANT IDH1 AND IDH2 INHIBITOR AND APPLICATION THEREOF | IDH1, IDH2, IDH3B | ALDH1A1 173/4885CYP3A4 1888/4885CA1 2082/4885 |
| US-12077703-B2 | Heteroaromatic isothiocyanates | TRPA1, CRY1, FOXM1 | ALDH1A1 1450/4885CYP3A4 1341/4885CA1 1479/4885 |
“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.