Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL24113414 | 0.84 | LCK (0.41) | ATRRAB9ANPC1SMN1; SMN2CA12 | |
| SCHEMBL7474329 | 0.81 | PTGDR2 (0.38) | ATRRAB9ANPC1SMN1; SMN2CA12 | |
| SCHEMBL5777669 | 0.79 | JAK1 (0.39) | RAB9ANPC1SMN1; SMN2CA12CA1 | |
| SCHEMBL2352982 | 0.76 | LCK (0.51) | ATRCA12CA1CA9LCK | |
| SCHEMBL660566 | 0.75 | NLRP3 (0.43) | ATRRAB9ANPC1CYP17A1MEN1 | |
| SCHEMBL7235091 | 0.74 | PPARG (0.36) | ATRRAB9ANPC1SMN1; SMN2SCN9A | |
| SCHEMBL729159 | 0.73 | ATR (0.42) | ATRCA12CA1CA9GAA | |
| SCHEMBL17390354 | 0.73 | RXFP1 (0.40) | RAB9ANPC1SMN1; SMN2CA12CA1 | |
| SCHEMBL6286018 | 0.73 | RAB9A (0.52) | RAB9ANPC1SMN1; SMN2MAPK10MEN1 | |
| SCHEMBL31443783 | 0.70 | CA12 (0.39) | ATRRAB9ACA12CA1CA9 |
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 |