Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 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 SCHEMBL9872263 | 0.99 | CYP1A2 (0.32) | CYP1A2CYP2D6CYP2C9CYP2C19DRD2 | |
| SCHEMBL9820734 | 0.89 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9870033 | 0.89 | GLB1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL9820658 | 0.81 | OPRM1 (0.32) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9820685 | 0.79 | KDM1A (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9820672 | 0.76 | — | — | |
| SCHEMBL9820865 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9820753 | 0.72 | — | — | |
| SCHEMBL9820749 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9820724 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5017724-A | Antihypoxic, CNS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | claimed |
| EP-0267024-B1 | HYDROFLUORENE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | EP | claimed |