Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11349399 | 0.98 | SLC6A3 (0.47) | SLC6A3SIGMAR1CYP1A2CYP2D6HTR1A | |
| SCHEMBL28407943 | 0.82 | HRH3 (0.49) | HRH3 | |
| SCHEMBL3286452 | 0.81 | SIGMAR1 (0.48) | SIGMAR1ACHECCR3 | |
| Hydrochloric Acid SCHEMBL17968381 | 0.79 | SIGMAR1 (0.47) | SIGMAR1ACHE | |
| SCHEMBL7861096 | 0.76 | KCNH2 (0.46) | SIGMAR1 | |
| Allylbenzene SCHEMBL9796833 | 0.74 | HTR2A (0.34) | ACHE | |
| Benzylamine SCHEMBL29104346 | 0.72 | TLR8 (0.43) | CYP1A2CYP2D6 | |
| Benzylamine SCHEMBL28554686 | 0.72 | KCNH2 (0.42) | SIGMAR1CYP1A2CYP2D6 | |
| SCHEMBL1626873 | 0.71 | — | — | |
| SCHEMBL1076869 | 0.70 | SLC6A3 (0.52) | SLC6A3SIGMAR1HTR1ADRD2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1572209-A4 | NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS | MERCK & CO INC (US) | 2006-12-06 | — | — | EP | disclosed |
| EP-1572209-A1 | NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS | Merck & Co., Inc. (US) | 2005-09-14 | — | — | EP | disclosed |
| US-6908921-B2 | Quinoxalinone derivatives as bradykinin B1 antagonists | MERCK & CO., INC. (US) | 2005-06-21 | — | — | US | disclosed |
| US-20050020591-A1 | 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds | SU DAI-SHI (US) | 2005-01-27 | — | — | US | disclosed |
| US-20040132733-A1 | Novel quinoxalinone derivatives as bradykinin B1 antagonists | MERCK & CO., INC. | 2004-07-08 | — | — | US | disclosed |
| WO-2004054584-A1 | NOVEL QUINOXALINONE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS | MERCK & CO., INC. (US) | 2004-07-01 | — | — | WO | disclosed |
| EP-1087838-A1 | ALKYLIDENE COMPLEXES OF RUTHENIUM WITH N-HETEROCYCLIC CARBENE LIGANDS AND THEIR USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS | Aventis Research & Technologies GmbH & Co. KG (DE) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999051344-A1 | ALKYLIDENE COMPLEXES OF RUTHENIUM WITH N-HETEROCYCLIC CARBENE LIGANDS AND THEIR USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 1999-10-14 | — | — | WO | disclosed |
| EP-0888308-A1 | PROCESS FOR PREPARING HETEROCYCLIC CARBENES | Celanese GmbH (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034875-A1 | PROCESS FOR PREPARING HETEROCYCLIC CARBENES | CELANESE GMBH (DE) | 1997-09-25 | — | — | 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 (2 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-20050020591-A1 | 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds | BDKRB1, BDKRB2, LTB4R2 | SLC6A3 3188/4885SIGMAR1 1242/4885CYP1A2 1298/4885 |
| US-20040132733-A1 | Novel quinoxalinone derivatives as bradykinin B1 antagonists | BDKRB1, BDKRB2, LTB4R2 | SLC6A3 3058/4885SIGMAR1 991/4885CYP1A2 1347/4885 |
“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.