Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 2/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | TK1 | P04183 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | LYN | P07948 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | CSK | P41240 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL9680874 | 1.00 | CDK5 (0.39) | CDK5CDK5R1ALDH1A1HCAR2MMP13 | |
| SCHEMBL9846195 | 0.78 | PDE3B (0.36) | ALDH1A1HCAR2PDE10APDE3BPDE3A | |
| SCHEMBL9846194 | 0.78 | PDE3B (0.36) | ALDH1A1HCAR2PDE10APDE3BPDE3A | |
| SCHEMBL9682778 | 0.74 | HCAR2 (0.36) | CDK5CDK5R1HCAR2 | |
| SCHEMBL9682775 | 0.74 | HCAR2 (0.36) | CDK5CDK5R1HCAR2 | |
| SCHEMBL9680279 | 0.70 | TSHR (0.41) | CDK5CDK5R1ALDH1A1HCAR2PDE10A | |
| SCHEMBL9449305 | 0.68 | SMN1; SMN2 (0.47) | CDK5CDK5R1ALDH1A1HCAR2PDE3B | |
| SCHEMBL9338308 | 0.67 | L3MBTL1 (0.48) | ALDH1A1HCAR2GRM1MEN1HSP90AA1 | |
| SCHEMBL9455953 | 0.67 | TSHR (0.38) | CDK5CDK5R1ALDH1A1HCAR2MEN1 | |
| Bromide SCHEMBL9682734 | 0.66 | TSHR (0.37) | CDK5CDK5R1ALDH1A1HCAR2MMP13 |
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 |