Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | 0.85 | CTSK (0.45) | CTSKCTSSCACNA1BCYP2D6AAK1 | |
| SCHEMBL8230752 | 0.84 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7572754 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7330812 | 0.81 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7323221 | 0.81 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7396130 | 0.81 | SMN1; SMN2 (0.47) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL6825598 | 0.80 | F7 (0.40) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7332029 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7331692 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7301321 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 |