Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 10/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 19/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3655404 | 0.82 | NR3C2 (0.49) | NR3C2NR3C1PGR | |
| SCHEMBL3657310 | 0.72 | NR3C2 (0.53) | NR3C2NR3C1PGR | |
| SCHEMBL15759110 | 0.71 | NR3C1 (0.71) | NR3C2NR3C1PGR | |
| SCHEMBL4821408 | 0.71 | NR3C2 (0.65) | NR3C2NR3C1PGR | |
| SCHEMBL13347573 | 0.70 | NR3C2 (0.49) | NR3C2NR3C1PGR | |
| SCHEMBL24305733 | 0.70 | NR3C2 (0.44) | NR3C2NR3C1PGR | |
| SCHEMBL3816800 | 0.70 | NR3C2 (0.50) | NR3C2NR3C1PGR | |
| SCHEMBL5800422 | 0.69 | NR3C1 (0.52) | NR3C2NR3C1PGR | |
| SCHEMBL9608976 | 0.69 | NR3C2 (0.49) | NR3C2NR3C1PGR | |
| SCHEMBL3459466 | 0.68 | GABRA1 (0.54) | — |
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 |