Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 2/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28117187 | 0.67 | MTNR1A (0.51) | — | |
| SCHEMBL6586384 | 0.64 | POLB (0.69) | — | |
| SCHEMBL14438040 | 0.64 | NR3C1 (0.37) | NR3C1NR3C2ALDH1A1 | |
| SCHEMBL31302810 | 0.63 | GRIN2D (0.44) | PDE3BPDE3A | |
| SCHEMBL11584056 | 0.63 | KMT2A (0.65) | ALDH1A1 | |
| SCHEMBL18673062 | 0.60 | NR3C1 (0.38) | NR3C1NR3C2ALDH1A1 | |
| SCHEMBL15020527 | 0.58 | KCNH2 (0.46) | — | |
| SCHEMBL560219 | 0.57 | TRPA1 (0.51) | ALDH1A1 | |
| SCHEMBL10473806 | 0.57 | TRPA1 (0.51) | ALDH1A1 | |
| SCHEMBL6164386 | 0.57 | NAAA (0.38) | PDE3BPDE3AP2RY12ALDH1A1 |
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 |