Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 12/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21881614 | 1.00 | AGTR2 (0.49) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21881186 | 0.91 | AGTR2 (0.49) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21881194 | 0.91 | AGTR2 (0.49) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21881185 | 0.91 | AGTR2 (0.59) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18608232 | 0.91 | AGTR2 (0.59) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21881848 | 0.91 | AGTR2 (0.59) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL29758892 | 0.90 | AGTR2 (0.58) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL21596260 | 0.90 | AGTR2 (0.58) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21881369 | 0.89 | AGTR2 (0.49) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21881515 | 0.89 | AGTR2 (0.47) | AGTR2KDM4ECYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3620454-B1 | CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST | SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) | 2021-05-05 | — | — | EP | disclosed |