Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | IL5 | P05113 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7922890 | 0.83 | CYP2A6 (0.46) | CYP2A6UHRF1CYP1A2KDM4E | |
| SCHEMBL25822916 | 0.80 | CYP2A6 (0.39) | CYP2A6CYP17A1 | |
| SCHEMBL8269297 | 0.80 | CYP2A6 (0.35) | CYP2A6UHRF1CYP1A2 | |
| SCHEMBL4420015 | 0.74 | CYP2A6 (0.58) | CYP2A6 | |
| SCHEMBL4420014 | 0.72 | CYP2A6 (0.56) | CYP2A6 | |
| SCHEMBL14438010 | 0.71 | CYP2A6 (0.41) | CYP2A6 | |
| SCHEMBL12980094 | 0.70 | CYP2A6 (0.54) | CYP2A6 | |
| SCHEMBL24757245 | 0.68 | NOS3 (0.47) | CYP2A6UHRF1CYP17A1PDPK1KDM4E | |
| SCHEMBL25822909 | 0.68 | CYP2A6 (0.43) | CYP2A6KDM4E | |
| SCHEMBL7920618 | 0.67 | UHRF1 (0.34) | CYP2A6UHRF1CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022161420-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-08-04 | — | — | WO | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| EP-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | 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-20120010247-A1 | BICYCLIC COMPOUND | ACACA, CPT1B, ACACB | CYP2A6 3139/4885UHRF1 1898/4885CYP1A2 2432/4885 |
“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.