Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.46 |
| ▸ | WNT3A | P56704 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9201403 | 0.87 | TSHR (0.49) | MAPTTSHRCTNNB1WNT3AGSK3B | |
| SCHEMBL9206285 | 0.87 | LMNA (0.43) | MAPTTSHRGSK3BALDH1A1MEN1 | |
| SCHEMBL29620831 | 0.82 | TSHR (0.63) | MAPTTSHRCTNNB1WNT3AGSK3B | |
| SCHEMBL426444 | 0.82 | TSHR (0.63) | MAPTTSHRCTNNB1WNT3AGSK3B | |
| SCHEMBL9204477 | 0.82 | KDM4E (0.54) | MAPTTSHRCTNNB1WNT3AGSK3B | |
| SCHEMBL9201981 | 0.82 | TSHR (0.49) | MAPTTSHRCTNNB1WNT3AGSK3B | |
| SCHEMBL9203694 | 0.81 | SLC6A4 (0.41) | MAPTTSHRCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9201929 | 0.80 | TSHR (0.47) | MAPTTSHRCTNNB1WNT3AGSK3B | |
| SCHEMBL9205864 | 0.80 | MEN1 (0.50) | MAPTTSHRCTNNB1WNT3AGSK3B | |
| SCHEMBL81878 | 0.77 | GSK3B (0.50) | MAPTTSHRCTNNB1WNT3AGSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0539806-B1 | Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity | MERCK PATENT GMBH (DE) | 1995-01-04 | — | — | EP | disclosed |
| US-5276027-A | Thiadiazinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-01-04 | — | — | US | disclosed |
| EP-0539806-A1 | Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity | MERCK PATENT GmbH (DE) | 1993-05-05 | — | — | EP | disclosed |