Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7735125 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL7734590 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL2379725 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL7880507 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL4277731 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL1287684 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL3536905 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL28038137 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL14087643 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL21440754 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5393760-A | Cardiovascular disorders, antitumor agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | claimed |
| EP-0468231-B1 | Guanidins | HOFFMANN LA ROCHE (CH) | 1994-09-21 | — | — | EP | claimed |
| US-5763436-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| US-5595999-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-01-21 | — | — | US | disclosed |
| US-5583133-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-12-10 | — | — | US | disclosed |
| US-5532232-A | INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD | HOFFMANN-LA ROCHE INC. (US) | 1996-07-02 | — | — | US | disclosed |
| US-5393760-A | Cardiovascular disorders, antitumor agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | disclosed |
| US-5260307-A | Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma | HOFMANN-LA ROCHE INC. (US) | 1993-11-09 | — | — | US | disclosed |