Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 20/20 | 0.70 |
| ▸ | NR3C2 | P08235 | 11/20 | 0.70 |
| ▸ | PGR | P06401 | 8/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL5249912 | 0.87 | NR3C1 (0.80) | NR3C1NR3C2PGR | |
| SCHEMBL1634928 | 0.86 | NR3C1 (0.76) | NR3C1NR3C2PGRCYP3A4KCNH2 | |
| SCHEMBL15746606 | 0.84 | NR3C1 (0.77) | NR3C1NR3C2PGRCYP3A4KCNH2 | |
| SCHEMBL1634570 | 0.84 | NR3C1 (0.77) | NR3C1NR3C2PGRCYP3A4KCNH2 | |
| SCHEMBL1634583 | 0.83 | NR3C1 (0.78) | NR3C1NR3C2PGRCYP3A4KCNH2 | |
| SCHEMBL292902 | 0.83 | NR3C1 (0.87) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL291130 | 0.82 | NR3C1 (1.00) | NR3C1NR3C2PGRCYP3A4KCNH2 | |
| SCHEMBL15756248 | 0.82 | NR3C1 (0.72) | NR3C1NR3C2PGRCYP3A4KCNH2 | |
| SCHEMBL5799920 | 0.81 | NR3C1 (0.85) | NR3C1NR3C2PGRCYP3A4KCNH2 | |
| SCHEMBL292124 | 0.81 | NR3C1 (1.00) | NR3C1NR3C2PGRCYP3A4 |
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-1673088-A1 | 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005030213-A1 | 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-04-07 | — | — | WO | disclosed |