Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27380499 | 1.00 | CYP1A2 (0.31) | CYP1A2CYP2C9CYP2C19HTTCA12 | |
| SCHEMBL8717115 | 0.87 | F10 (0.32) | F10 | |
| SCHEMBL7296673 | 0.85 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8947611 | 0.84 | CA12 (0.36) | CA12CA1 | |
| SCHEMBL7304125 | 0.84 | CA12 (0.36) | CA12CA1 | |
| SCHEMBL7298351 | 0.81 | F2 (0.43) | F10 | |
| SCHEMBL7303719 | 0.81 | EEF2K (0.36) | F10 | |
| SCHEMBL7303910 | 0.81 | ACACB (0.43) | F10 | |
| SCHEMBL7295250 | 0.81 | L3MBTL1 (0.39) | F10 | |
| SCHEMBL7301032 | 0.81 | TSHR (0.36) | F10 |
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 |