Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 7/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | FPR2 | P25090 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3657312 | 0.80 | NR3C1 (0.45) | NR3C1NR3C2PGR | |
| SCHEMBL5779281 | 0.76 | NR3C1 (0.50) | NR3C1AAK1NR3C2PGRCYP3A4 | |
| SCHEMBL3684852 | 0.72 | NR3C1 (0.37) | NR3C1NR3C2PGR | |
| SCHEMBL4442648 | 0.69 | NR3C1 (0.60) | NR3C1NR3C2PGR | |
| SCHEMBL5800422 | 0.66 | NR3C1 (0.52) | NR3C1NR3C2PGR | |
| SCHEMBL17751247 | 0.63 | CYP19A1 (0.54) | ERN1CYP19A1BACE1 | |
| SCHEMBL3649794 | 0.63 | CHRM3 (0.37) | NR3C1NR3C2PGRCYP3A4 | |
| SCHEMBL5823404 | 0.60 | PDE4A (0.62) | FPR2 | |
| SCHEMBL10352726 | 0.60 | RARA (0.61) | CYP3A4RARARARBRARG | |
| SCHEMBL3948025 | 0.60 | CYP3A4 (0.33) | CYP3A4CYP17A1 |
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 |