Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10714404 | 0.87 | TSHR (0.74) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL29402206 | 0.83 | TSHR (0.68) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL3843446 | 0.83 | TSHR (0.68) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL3867382 | 0.83 | TSHR (0.68) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL3878684 | 0.82 | TSHR (0.60) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL8974219 | 0.81 | TSHR (0.65) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL29405287 | 0.81 | TSHR (0.65) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL11707429 | 0.79 | TSHR (0.63) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL8167656 | 0.79 | TSHR (0.63) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL14603550 | 0.78 | TSHR (0.68) | TSHRMAPK1CYP3A4CASP1RECQL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1105133-A4 | TRICYCLIC COMPOUNDS | MERCK & CO INC (US) | 2002-03-27 | — | — | EP | disclosed |
| EP-1105133-A1 | TRICYCLIC COMPOUNDS | Merk & Co., Inc. (US) | 2001-06-13 | — | — | EP | disclosed |
| US-6048869-A | REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 2000-04-11 | — | — | US | disclosed |
| WO-2000006167-A1 | TRICYCLIC COMPOUNDS | MERK & CO., INC. (US) | 2000-02-10 | — | — | WO | disclosed |