Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.30 |
| ▸ | OGA | O60502 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3714152 | 0.73 | NR3C1 (0.47) | NR3C1PGRNR3C2 | |
| SCHEMBL2176886 | 0.69 | CYP2A6 (0.69) | CYP2A6METKDM4CTGFBR1HDAC3 | |
| SCHEMBL10653557 | 0.69 | CYP2A6 (0.69) | CYP2A6METKDM4CTGFBR1HDAC3 | |
| SCHEMBL12487353 | 0.66 | CYP2A6 (1.00) | CYP2A6METKDM4CTGFBR1 | |
| SCHEMBL1251644 | 0.66 | CYP2A6 (1.00) | CYP2A6METKDM4CTGFBR1HDAC3 | |
| SCHEMBL27168295 | 0.66 | CYP2A6 (0.63) | CYP2A6METKDM4CTGFBR1HDAC3 | |
| SCHEMBL30048549 | 0.66 | CYP2A6 (0.63) | CYP2A6KDM4CHDAC3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL2179295 | 0.65 | CYP2A6 (0.96) | CYP2A6MET | |
| Hydrochloric Acid SCHEMBL31751429 | 0.65 | CYP2A6 (0.96) | CYP2A6MET | |
| SCHEMBL291661 | 0.64 | NR3C1 (0.66) | NR3C1PGRNR3C2 |
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 |