Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.30 |
| ▸ | SELE | P16581 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2834782 | 0.99 | CYP2A6 (0.39) | CYP2A6L3MBTL1GSK3B | |
| SCHEMBL4135881 | 0.82 | ICAM1 (0.35) | L3MBTL1GSK3BICAM1SELE | |
| SCHEMBL4135872 | 0.81 | ICAM1 (0.33) | L3MBTL1GSK3BICAM1SELE | |
| SCHEMBL2837898 | 0.81 | CYP2A6 (0.42) | CYP2A6L3MBTL1GSK3BICAM1SELE | |
| SCHEMBL2838646 | 0.80 | CYP2A6 (0.34) | CYP2A6ICAM1SELE | |
| SCHEMBL2839548 | 0.80 | CYP2A6 (0.44) | CYP2A6GSK3B | |
| SCHEMBL3654603 | 0.79 | CACNA1G (0.33) | ICAM1SELE | |
| SCHEMBL3654598 | 0.75 | ALDH1A1 (0.31) | ICAM1SELE | |
| Hydrochloric Acid SCHEMBL4125820 | 0.75 | CYP2A6 (0.37) | CYP2A6L3MBTL1 | |
| Fumaric Acid SCHEMBL2837944 | 0.73 | CYP2A6 (0.38) | CYP2A6GSK3B |
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-3162798-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2021-04-14 | — | — | EP | claimed |
| EP-3162798-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-05-03 | — | — | EP | claimed |
| US-20100210696-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-19 | — | — | US | claimed |
| EP-2196459-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-06-16 | — | — | EP | claimed |
| EP-3162798-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2021-04-14 | — | — | EP | disclosed |
| EP-3162798-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-05-03 | — | — | EP | disclosed |
| EP-2196459-B1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-11-02 | — | — | EP | disclosed |
| US-8334301-B2 | 5-Membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-18 | — | — | US | disclosed |
| US-20100210696-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-19 | — | — | US | disclosed |
| EP-2196459-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-06-16 | — | — | EP | 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-20100210696-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | NPY4R, NPY5R, NPY1R | CYP2A6 164/4885L3MBTL1 3861/4885GSK3B 4197/4885 |
“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.