Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 8/20 | 0.32 |
| ▸ | NAT1 | P18440 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | LIPG | Q9Y5X9 | 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 | |
|---|---|---|---|---|
| SCHEMBL3654949 | 0.88 | AGTR2 (0.33) | AGTR2CYP3A4LIPG | |
| SCHEMBL3806158 | 0.87 | AGTR2 (0.32) | AGTR2GRM4CYP3A4LIPG | |
| Hydrochloric Acid SCHEMBL3645134 | 0.85 | NAMPT (0.33) | AGTR2LIPG | |
| SCHEMBL3652361 | 0.85 | AGTR2 (0.33) | AGTR2CYP3A4LIPG | |
| Hydrochloric Acid SCHEMBL3653186 | 0.83 | AGTR2 (0.32) | AGTR2 | |
| SCHEMBL3649952 | 0.83 | ABCC9 (0.36) | AGTR2LIPG | |
| SCHEMBL3803071 | 0.83 | KDM4E (0.33) | AGTR2 | |
| SCHEMBL3804718 | 0.82 | ABCC9 (0.36) | AGTR2CYP3A4LIPG | |
| SCHEMBL4120137 | 0.82 | LIPG (0.32) | NAT1GRM4LIPG | |
| SCHEMBL3650556 | 0.81 | NAMPT (0.35) | AGTR2GRM4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |