Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 9/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 6/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4442648 | 0.79 | NR3C1 (0.60) | NR3C1NR3C2PGR | |
| SCHEMBL3657310 | 0.78 | NR3C2 (0.53) | NR3C1NR3C2PGR | |
| SCHEMBL5779282 | 0.76 | NR3C1 (0.44) | NR3C1NR3C2PGRAAK1KDR | |
| SCHEMBL1634224 | 0.70 | NR3C2 (0.44) | NR3C1NR3C2PGR | |
| SCHEMBL5797550 | 0.67 | NR3C1 (1.00) | NR3C1NR3C2PGR | |
| SCHEMBL5799390 | 0.67 | NR3C1 (0.87) | NR3C1NR3C2PGR | |
| SCHEMBL3680907 | 0.67 | NR3C1 (0.55) | NR3C1NR3C2PGRCYP19A1 | |
| SCHEMBL17751247 | 0.65 | CYP19A1 (0.54) | ABL1CYP19A1ERN1 | |
| SCHEMBL3533284 | 0.65 | NR3C1 (0.45) | NR3C1NR3C2PGR | |
| SCHEMBL5780569 | 0.63 | NR3C2 (0.48) | NR3C1NR3C2PGR |
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 |