Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | MAP3K5 | Q99683 | 7/20 | 0.41 |
| ▸ | SCD | O00767 | 4/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3729472 | 0.86 | SCD (0.56) | ESR2SCD | |
| SCHEMBL20367132 | 0.82 | ABCB1 (0.45) | ESR2RAF1BRAFJAK2JAK3 | |
| SCHEMBL20367121 | 0.81 | ABCB1 (0.44) | ESR2RAF1BRAFJAK2JAK3 | |
| SCHEMBL3186149 | 0.81 | P2RY14 (0.44) | ESR2RAF1BRAFJAK2JAK3 | |
| SCHEMBL4283514 | 0.80 | WNT1 (0.44) | MAP3K5SCD | |
| SCHEMBL4425377 | 0.79 | SCD (0.38) | SCDSCN9A | |
| Hydrochloric Acid SCHEMBL4275852 | 0.79 | WNT1 (0.44) | MAP3K5SCD | |
| SCHEMBL3603799 | 0.78 | SCD5 (0.51) | ESR2RAF1BRAFJAK2JAK3 | |
| SCHEMBL20367330 | 0.78 | ABCB1 (0.44) | RAF1BRAFABCB1MAP3K5NR1H2 | |
| SCHEMBL20367418 | 0.78 | KCNH2 (0.45) | ESR2RAF1BRAFJAK2JAK3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009150196-A1 | N-THIAZOLYL-1, 2, 3, 4-TETRAHYDRO-6-ISOQUINOLINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF STEAROYL COENZYME A DESATURASE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-12-17 | — | — | WO | disclosed |