Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 20/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.47 |
| ▸ | PGR | P06401 | 4/20 | 0.45 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4044983 | 0.85 | NR3C1 (0.60) | NR3C1CYP3A4PGRNR3C2KCNH2 | |
| SCHEMBL3686709 | 0.83 | NR3C1 (0.45) | NR3C1CYP3A4PGRNR3C2KCNH2 | |
| SCHEMBL3709589 | 0.82 | NR3C1 (0.66) | NR3C1CYP3A4PGRNR3C2KCNH2 | |
| SCHEMBL3714466 | 0.79 | NR3C1 (0.65) | NR3C1CYP3A4PGRNR3C2 | |
| SCHEMBL3659224 | 0.79 | NR3C1 (0.57) | NR3C1CYP3A4PGRKCNH2 | |
| SCHEMBL5801773 | 0.78 | NR3C1 (0.37) | NR3C1CYP3A4PGRNR3C2KCNH2 | |
| SCHEMBL6668591 | 0.78 | NR3C1 (0.57) | NR3C1CYP3A4PGRNR3C2 | |
| SCHEMBL4465001 | 0.77 | NR3C1 (0.70) | NR3C1CYP3A4PGRNR3C2KCNH2 | |
| SCHEMBL3707341 | 0.77 | NR3C1 (0.61) | NR3C1CYP3A4PGRNR3C2 | |
| SCHEMBL10313414 | 0.76 | NR3C1 (0.73) | NR3C1CYP3A4PGRNR3C2KCNH2 |
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 |