Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 20/20 | 0.56 |
| ▸ | NR3C2 | P08235 | 17/20 | 0.56 |
| ▸ | PGR | P06401 | 14/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5808430 | 0.94 | NR3C1 (0.57) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL5812332 | 0.93 | NR3C1 (0.56) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL5813333 | 0.90 | NR3C1 (0.60) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL5818128 | 0.89 | NR3C1 (0.56) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL292282 | 0.89 | NR3C1 (0.72) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL5813985 | 0.87 | NR3C1 (0.62) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL5820235 | 0.87 | NR3C1 (0.56) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL291749 | 0.83 | NR3C1 (0.74) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL292559 | 0.82 | NR3C1 (0.73) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL292677 | 0.79 | NR3C1 (0.73) | 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 |