Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14350116 | 0.80 | PTGS2 (0.46) | PTGS2PTPN1HSD11B1SLC22A12ALDH1A1 | |
| SCHEMBL463311 | 0.79 | KCNH2 (0.42) | ALDH1A1MAPK1KCNH2 | |
| SCHEMBL11664433 | 0.79 | ALDH1A1 (0.39) | PTPN1HSD11B1CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL14376782 | 0.79 | PTGS2 (0.44) | PTGS2PTPN1HSD11B1SLC22A12CYP3A4 | |
| Hydrochloric Acid SCHEMBL2771576 | 0.78 | ALDH1A1 (0.52) | PTGS2PTPN1HSD11B1SLC22A12ALDH1A1 | |
| SCHEMBL31122088 | 0.78 | ALDH1A1 (0.38) | PTPN1HSD11B1CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL17845460 | 0.78 | ALDH1A1 (0.38) | PTPN1HSD11B1CYP3A4ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL29909089 | 0.77 | KCNH2 (0.41) | ALDH1A1MAPK1KCNH2 | |
| SCHEMBL27688702 | 0.76 | KIF11 (0.48) | PTGS2SLC22A12CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL5022148 | 0.76 | PTGS2 (0.49) | PTGS2ALDH1A1CYP1A2L3MBTL1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109810064-B | Method for synthesizing Elagolix intermediate polysubstituted pyrimidine derivative by two-step method | 安徽诺全药业有限公司 | 2022-06-07 | — | — | CN | claimed |
| CN-109810064-A | A kind of method of two-step method synthesis Elagolix intermediate polysubstituted pyrimidine derivative | 安徽诺全药业有限公司 | 2019-05-28 | — | — | CN | claimed |
| CN-111333587-B | Substituted pyrimidine-2, 4 (1H, 3H) -dione derivatives and uses thereof | 东莞市东阳光新药研发有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-109810064-B | Method for synthesizing Elagolix intermediate polysubstituted pyrimidine derivative by two-step method | 安徽诺全药业有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-109810064-B | Method for synthesizing Elagolix intermediate polysubstituted pyrimidine derivative by two-step method | 安徽诺全药业有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-114423753-A | Heterobicyclic amides as CD38 inhibitors | 里邦医疗公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-111333587-A | Substituted pyrimidine-2, 4(1H,3H) -dione derivatives and uses thereof | 东莞市东阳光新药研发有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-109810064-A | A kind of method of two-step method synthesis Elagolix intermediate polysubstituted pyrimidine derivative | 安徽诺全药业有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-109810064-A | A kind of method of two-step method synthesis Elagolix intermediate polysubstituted pyrimidine derivative | 安徽诺全药业有限公司 | 2019-05-28 | — | — | CN | disclosed |
| CN-105732649-B | Gonadotropin releasing hormone receptor antagonists, process for their preparation and pharmaceutical compositions containing them | 株式会社蒂奥姆生物 | 2019-02-05 | — | — | CN | disclosed |
| CN-104136441-B | Gonadotropin-releasing hormone receptor antagonists, process for their preparation and pharmaceutical compositions comprising them | SK化学公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-105732649-A | Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same | SK化学公司 | 2016-07-06 | — | — | CN | disclosed |
| US-8946266-B2 | Substituted triazole and imidazole derivatives as gamma secretase modulators | Janssen Pharmaceuticals, Inc. (US) | 2015-02-03 | — | — | US | disclosed |
| US-20120135981-A1 | NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS | CELLZOME LIMITED (GB) | 2012-05-31 | — | — | US | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | 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 (1 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-20120135981-A1 | NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS | BACE1, BACE2, APH1A | PTGS2 112/4885PTPN1 3678/4885HSD11B1 151/4885 |
“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.