Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCN1 | O60741 | 2/20 | 0.46 |
| ▸ | HCN4 | Q9Y3Q4 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| SCHEMBL9377070 | 0.82 | TSHR (0.61) | HCN1HCN4CYP1A2CYP2D6TSHR | |
| Iodide SCHEMBL9595841 | 0.81 | HCN1 (0.60) | HCN1HCN4CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL8895431 | 0.81 | HCN1 (0.62) | HCN1HCN4CYP1A2CYP2D6TSHR | |
| SCHEMBL9380521 | 0.78 | HCN1 (0.50) | HCN1HCN4CYP1A2CYP2D6TSHR | |
| SCHEMBL14288498 | 0.75 | MAPT (0.37) | CYP1A2CYP2D6TSHREGLN1 | |
| SCHEMBL9377778 | 0.75 | HCN1 (0.45) | HCN1HCN4CYP1A2CYP2D6TSHR | |
| SCHEMBL9378366 | 0.74 | HCN1 (0.43) | HCN1HCN4CYP1A2CYP2D6TSHR | |
| SCHEMBL22870227 | 0.73 | MAPT (0.37) | CYP1A2CYP2D6TSHREGLN1 | |
| SCHEMBL9847347 | 0.70 | HCN1 (0.44) | HCN1HCN4CYP1A2CYP2D6TSHR | |
| SCHEMBL9378958 | 0.68 | TSHR (0.49) | HCN1HCN4CYP1A2CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0453197-B1 | Amine derivatives | ICI PLC (GB) | 1994-06-15 | — | — | EP | claimed |
| EP-0453197-A1 | Amine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-10-23 | — | — | EP | claimed |