Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | CETP | P11597 | 3/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3948021 | 0.83 | HSD11B1 (0.37) | — | |
| SCHEMBL3658634 | 0.81 | CETP (0.47) | CETPCYP2C19CYP2C9MEN1KMT2A | |
| SCHEMBL3680226 | 0.81 | CETP (0.46) | CETP | |
| SCHEMBL4477002 | 0.80 | CA1 (0.41) | CETPMEN1KMT2A | |
| SCHEMBL4399833 | 0.78 | TAAR1 (0.50) | TAAR1GRIN1GRIN2AGRIN2DGRIN2C | |
| SCHEMBL4399836 | 0.78 | TAAR1 (0.50) | TAAR1GRIN1GRIN2AGRIN2DGRIN2C | |
| SCHEMBL113841 | 0.78 | TAAR1 (0.50) | TAAR1GRIN1GRIN2AGRIN2DGRIN2C | |
| SCHEMBL15756221 | 0.76 | CYP2C19 (0.39) | CETPGRIN1GRIN2AGRIN2DGRIN2C | |
| SCHEMBL7024056 | 0.76 | TAAR1 (0.48) | TAAR1GRIN1GRIN2AGRIN2DGRIN2C | |
| Ammonia Solution, Strong SCHEMBL27739613 | 0.76 | TAAR1 (0.48) | TAAR1GRIN1GRIN2AGRIN2DGRIN2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1490317-A1 | GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-12-29 | — | — | EP | claimed |
| WO-2003082787-A1 | GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-10-09 | — | — | WO | claimed |
| 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 |