Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 6/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 2/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7294947 | 0.93 | CTSK (0.45) | CTSKCTSSCACNA1BITGB3ITGA2B | |
| SCHEMBL9543285 | 0.85 | CTSK (0.50) | CTSKCTSSCACNA1BHDAC4HDAC1 | |
| SCHEMBL4665948 | 0.83 | CTSK (0.42) | CTSKCTSSCACNA1BHDAC4HDAC1 | |
| SCHEMBL5527345 | 0.83 | CTSK (0.42) | CTSKCTSSCACNA1BHDAC4HDAC1 | |
| SCHEMBL5532292 | 0.81 | CTSK (0.42) | CTSKCTSSCACNA1BHDAC4HDAC1 | |
| SCHEMBL5532294 | 0.81 | CTSK (0.42) | CTSKCTSSCACNA1BHDAC4HDAC1 | |
| SCHEMBL8717261 | 0.77 | CYP1A2 (0.44) | CTSKCTSSCACNA1BAAK1KMT2A | |
| SCHEMBL13128263 | 0.77 | CTSK (0.43) | CTSKCTSSCACNA1BITGB3ITGA2B | |
| SCHEMBL4662788 | 0.77 | CTSK (0.44) | CTSKCTSSCACNA1BHDAC4HDAC1 | |
| SCHEMBL4662787 | 0.77 | CTSK (0.44) | CTSKCTSSCACNA1BHDAC4HDAC1 |
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 4 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 |
| US-5578594-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-11-26 | — | — | US | disclosed |
| US-5405854-A | Anticoagulants | HOFFMANN-LA ROCHE INC. (US) | 1995-04-11 | — | — | US | disclosed |