Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682775 | 1.00 | HCAR2 (0.36) | HCAR2CDK5CDK5R1 | |
| SCHEMBL9681900 | 0.80 | HCAR2 (0.32) | HCAR2 | |
| SCHEMBL9680291 | 0.80 | HCAR2 (0.32) | HCAR2 | |
| SCHEMBL9682811 | 0.80 | HCAR2 (0.37) | HCAR2CDK5CDK5R1 | |
| SCHEMBL9682115 | 0.74 | HCAR2 (0.33) | HCAR2CDK5CDK5R1 | |
| SCHEMBL9680874 | 0.74 | CDK5 (0.39) | HCAR2CDK5CDK5R1 | |
| SCHEMBL9680870 | 0.74 | CDK5 (0.39) | HCAR2CDK5CDK5R1 | |
| SCHEMBL9846323 | 0.69 | — | — | |
| SCHEMBL9846324 | 0.69 | — | — | |
| SCHEMBL9680279 | 0.68 | TSHR (0.41) | HCAR2CDK5CDK5R1 |
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-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |