Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.39 |
| ▸ | CETP | P11597 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5780276 | 0.80 | HSD11B1 (0.39) | KCNN4 | |
| SCHEMBL3812826 | 0.74 | NR3C1 (0.41) | NR3C1PGRCHRM3NR3C2 | |
| SCHEMBL3680226 | 0.73 | CETP (0.46) | KCNN4CETPNR3C1PGRGAA | |
| SCHEMBL13251355 | 0.71 | KCNN4 (0.41) | KCNN4CETPHTR2AHTR2CHTR2B | |
| SCHEMBL3655404 | 0.71 | NR3C2 (0.49) | NR3C1PGRNR3C2 | |
| SCHEMBL30467945 | 0.70 | KCNN4 (0.46) | KCNN4NR3C1PGRPTPN1KIF11 | |
| SCHEMBL25134588 | 0.69 | KCNN4 (0.48) | KCNN4PTPN1KIF11CHRM3ALDH1A1 | |
| SCHEMBL25134589 | 0.69 | KCNN4 (0.48) | KCNN4PTPN1KIF11HDAC3HDAC1 | |
| SCHEMBL25502577 | 0.69 | KCNN4 (0.44) | KCNN4HTR2AHTR2CHTR2BPTPN1 | |
| SCHEMBL24824473 | 0.68 | KCNN4 (0.52) | KCNN4PTPN1KIF11CHRM3ALDH1A1 |
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 |