Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8719939 | 0.92 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7396101 | 0.82 | SYK (0.46) | CTSKCCKBRCTSS | |
| SCHEMBL7396130 | 0.82 | SMN1; SMN2 (0.47) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8717261 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7331692 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7301321 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL6822145 | 0.81 | CTSK (0.42) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7335645 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8719598 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7390964 | 0.79 | CNR2 (0.42) | CTSKCCKBR |
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 2 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 |
| 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 |