Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7335645 | 0.92 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8717173 | 0.85 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8947574 | 0.85 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8716964 | 0.85 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8719939 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8719543 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8721817 | 0.79 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL27309404 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7817305 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL23496889 | 0.77 | CTSS (0.47) | CTSKCTSSCTSLCTSB |
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 |