Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 3/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 3/20 | 0.35 |
| ▸ | TNF | P01375 | 4/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16657022 | 0.83 | CYP1A2 (0.41) | CYP1A1CYP1A2CYP1B1KCNA5HTR2A | |
| SCHEMBL1238322 | 0.82 | KCNA5 (0.40) | CYP1A1CYP1A2CYP1B1KCNA5HTR2A | |
| SCHEMBL1238531 | 0.82 | TNF (0.38) | CYP1A1CYP1A2CYP1B1KCNA5KCNJ5 | |
| SCHEMBL1236934 | 0.79 | CYP1A2 (0.38) | CYP1A1CYP1A2CYP1B1KCNA5HTR2A | |
| SCHEMBL12080017 | 0.79 | CYP1A2 (0.38) | CYP1A1CYP1A2CYP1B1KCNA5HTR2A | |
| SCHEMBL16657020 | 0.77 | CYP1A2 (0.44) | CYP1A1CYP1A2CYP1B1HTR2AHTR2C | |
| SCHEMBL16657021 | 0.77 | MAPK14 (0.47) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL16589139 | 0.71 | CYP1A2 (0.41) | CYP1A1CYP1A2CYP1B1HTR2AHTR2C | |
| SCHEMBL21241821 | 0.71 | TNF (0.43) | HTR2AHTR2CTNFPARP1 | |
| SCHEMBL18011104 | 0.69 | ALDH1A1 (0.38) | CYP1A1CYP1A2CYP1B1HTR2AHTR2C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140343277-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | OTSUKA PHARCACEUTICAL CO LTD (JP) | 2014-11-20 | — | — | US | disclosed |
| US-20140343278-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | OTSUKA PHARMA CO LTD (JP) | 2014-11-20 | — | — | US | disclosed |
| US-8822453-B2 | Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-09-02 | — | — | US | disclosed |
| US-20120225866-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-09-06 | — | — | US | disclosed |
| WO-2011021726-A2 | NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-02-24 | — | — | 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 (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-20140343277-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | KCNH2, KCNH1, KCNH3 | CYP1A1 461/4885CYP1A2 503/4885CYP1B1 405/4885 |
| US-20140343278-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | KCNH2, KCNH1, KCNH3 | CYP1A1 461/4885CYP1A2 503/4885CYP1B1 405/4885 |
| US-20120225866-A1 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | KCNH2, KCNH1, KCNH3 | CYP1A1 461/4885CYP1A2 503/4885CYP1B1 405/4885 |
“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.