Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 12/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24158828 | 0.76 | PDK1 (0.63) | PDK1 | |
| SCHEMBL8918034 | 0.76 | F2 (0.38) | PDK1NR1H4CACNA1HTSHR | |
| SCHEMBL28662047 | 0.75 | LMNA (0.42) | PDK1 | |
| SCHEMBL8575864 | 0.73 | PDK1 (0.38) | PDK1 | |
| SCHEMBL17242140 | 0.72 | ALDH1A1 (0.49) | TSHR | |
| SCHEMBL2905444 | 0.72 | ALDH1A1 (0.49) | TSHR | |
| SCHEMBL10290412 | 0.72 | LMNA (0.54) | — | |
| SCHEMBL28091529 | 0.71 | DRD4 (0.55) | — | |
| SCHEMBL28290423 | 0.71 | LMNA (0.49) | — | |
| SCHEMBL28022537 | 0.70 | TRPA1 (0.49) | — |
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-5763604-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| US-5677448-A | CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1997-10-14 | — | — | US | disclosed |