Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.49 |
| ▸ | WNT3A | P56704 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9201285 | 0.87 | MAPT (0.46) | TSHRMAPTCTNNB1WNT3AGSK3B | |
| SCHEMBL29620831 | 0.86 | TSHR (0.63) | TSHRMAPTCTNNB1WNT3AGSK3B | |
| SCHEMBL426444 | 0.86 | TSHR (0.63) | TSHRMAPTCTNNB1WNT3AGSK3B | |
| SCHEMBL9201981 | 0.85 | TSHR (0.49) | TSHRMAPTCTNNB1WNT3AGSK3B | |
| SCHEMBL9201929 | 0.83 | TSHR (0.47) | TSHRMAPTCTNNB1WNT3AGSK3B | |
| SCHEMBL9205864 | 0.83 | MEN1 (0.50) | TSHRMAPTCTNNB1WNT3AGSK3B | |
| SCHEMBL25242367 | 0.82 | GSK3B (0.47) | GSK3BPTPN1 | |
| SCHEMBL16210170 | 0.82 | EPHX2 (0.51) | MAPTGSK3BALDH1A1MEN1KMT2A | |
| SCHEMBL14248660 | 0.81 | CA12 (0.71) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24812330 | 0.81 | CYP1A2 (0.53) | TSHRMAPTCYP1A2CYP3A4CYP2C9 |
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 |