Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7564794 | 0.99 | CTSL (0.41) | CTSLCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL7572761 | 0.95 | CTSL (0.40) | CTSLCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL7337054 | 0.90 | CTSL (0.43) | CTSLCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL7398204 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19HTTF7 | |
| SCHEMBL8721817 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19HTTF7 | |
| SCHEMBL8927576 | 0.79 | CTSS (0.38) | CTSKCTSS | |
| SCHEMBL8719543 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTF7 | |
| SCHEMBL7332029 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTF7 | |
| SCHEMBL7329222 | 0.79 | CTSK (0.44) | CTSLCTSKCTSSCTSB | |
| SCHEMBL7330812 | 0.78 | CYP1A2 (0.45) | CTSLCYP1A2CYP2C9CYP2C19HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0559046-B1 | N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | 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 |
| EP-0559046-A1 | N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-09-08 | — | — | EP | disclosed |