Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL9773562 | 0.85 | ESR1 (0.42) | ESR1ESR2MGAMNR1H2NR1H3 | |
| SCHEMBL9773556 | 0.85 | ESR1 (0.42) | ESR1ESR2MGAMNR1H2NR1H3 | |
| SCHEMBL9773554 | 0.85 | ESR1 (0.42) | ESR1ESR2MGAMNR1H2NR1H3 | |
| SCHEMBL5664375 | 0.81 | ESR1 (0.37) | ESR1ESR2NR1H2NR1H3MAPT | |
| SCHEMBL7898055 | 0.78 | MAPT (0.38) | ESR1ESR2MGAMNR1H2NR1H3 | |
| SCHEMBL7898054 | 0.78 | MAPT (0.38) | ESR1ESR2MGAMNR1H2NR1H3 | |
| SCHEMBL9226489 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL9222035 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL8159137 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL28721082 | 0.73 | ALDH1A1 (0.41) | ESR1ESR2MGAMMAPT |
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 |