Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | SI | P14410 | 4/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 4/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | FBP1 | P09467 | 3/20 | 0.33 |
| ▸ | CTSD | P07339 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
| ▸ | PIP4K2C | Q8TBX8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2843419 | 0.83 | CYP2A6 (0.40) | CYP2A6CTSDBACE1BACE2ERN1 | |
| SCHEMBL3648544 | 0.82 | CYP2A6 (0.40) | CYP2A6CTSDBACE1BACE2 | |
| SCHEMBL2836790 | 0.82 | CYP2A6 (0.39) | CYP2A6GAACTSDBACE1BACE2 | |
| SCHEMBL3650427 | 0.82 | CYP2A6 (0.39) | CYP2A6CTSDBACE1BACE2ERN1 | |
| SCHEMBL3703687 | 0.79 | CYP2A6 (0.36) | CYP2A6 | |
| SCHEMBL3651879 | 0.78 | CYP2A6 (0.36) | CYP2A6ERN1 | |
| SCHEMBL3651836 | 0.78 | CYP2A6 (0.36) | CYP2A6 | |
| SCHEMBL3644979 | 0.77 | CYP2A6 (0.35) | CYP2A6 | |
| SCHEMBL2838646 | 0.77 | CYP2A6 (0.34) | CYP2A6CTSDBACE1BACE2PIP4K2C | |
| SCHEMBL2839548 | 0.76 | CYP2A6 (0.44) | CYP2A6MGAMGAASIMGAM2 |
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 11 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 | 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 |
| EP-2190822-B1 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-12-31 | — | — | 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 |
| EP-2190822-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |
| US-20090156642-A1 | 5-Membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-18 | — | — | US | disclosed |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | 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-20090156642-A1 | 5-Membered heterocyclic compound | CEL, PGA5, COG5 | CYP2A6 443/4885MGAM 1183/4885GAA 7/4885 |
| US-20100210696-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | NPY4R, NPY5R, NPY1R | CYP2A6 164/4885MGAM 3164/4885GAA 1513/4885 |
“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.