Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 18/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3703109 | 0.95 | AGTR2 (0.33) | AGTR2CYP3A4 | |
| SCHEMBL3654949 | 0.85 | AGTR2 (0.33) | AGTR2CYP3A4 | |
| SCHEMBL3649952 | 0.85 | ABCC9 (0.36) | AGTR2KMT2A | |
| SCHEMBL3804718 | 0.84 | ABCC9 (0.36) | AGTR2CYP3A4 | |
| SCHEMBL3652361 | 0.83 | AGTR2 (0.33) | AGTR2CYP3A4DYRK1A | |
| SCHEMBL3806158 | 0.83 | AGTR2 (0.32) | AGTR2CYP3A4 | |
| SCHEMBL3803071 | 0.82 | KDM4E (0.33) | AGTR2KMT2A | |
| Hydrochloric Acid SCHEMBL3645134 | 0.82 | NAMPT (0.33) | AGTR2KMT2A | |
| SCHEMBL4028250 | 0.81 | AGTR2 (0.32) | AGTR2CYP3A4 | |
| SCHEMBL4125945 | 0.81 | LIPG (0.33) | DYRK1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |