Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | NR1D1 | P20393 | 2/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL27532350 | 0.86 | HDAC3 (0.45) | HDAC3HDAC1HDAC2NCOR2NR1D1 | |
| SCHEMBL2892096 | 0.86 | HDAC3 (0.45) | HDAC3HDAC1HDAC2NCOR2NR1D1 | |
| SCHEMBL2056117 | 0.84 | HDAC3 (0.49) | HDAC3HDAC1HDAC2NCOR2NR1D1 | |
| SCHEMBL12894958 | 0.84 | HDAC3 (0.51) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL14125767 | 0.83 | CTSS (0.45) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL1368166 | 0.83 | HDAC1 (0.52) | HDAC3HDAC1HDAC2NCOR2GAA | |
| SCHEMBL27572379 | 0.82 | NR1D1 (0.52) | HDAC3HDAC1HDAC2NCOR2NR1D1 | |
| SCHEMBL1369160 | 0.82 | HDAC3 (0.47) | HDAC3HDAC1HDAC2NCOR2NR1D1 | |
| SCHEMBL1196677 | 0.82 | HDAC3 (0.44) | HDAC3HDAC1HDAC2NCOR2NR1D1 | |
| SCHEMBL21257783 | 0.81 | ALDH1A1 (0.39) | GAAMT-CO2MAPTALDH1A1SMN1; SMN2 |
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 6 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-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 |
| 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 |