Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.51 |
| ▸ | IL6 | P05231 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | MYC | P01106 | 1/20 | 0.46 |
| ▸ | MAX | P61244 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL25375799 | 0.87 | TNF (0.59) | TNFIL6MYCMAXNFKB1 | |
| SCHEMBL12751291 | 0.77 | IKBKB (0.51) | HTR2CMAOB | |
| Hydrochloric Acid SCHEMBL6979971 | 0.75 | IKBKB (0.50) | HTR2CGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8315728 | 0.74 | PRCP (0.42) | HTR2CSLC6A2SLC6A4 | |
| SCHEMBL12751382 | 0.73 | HTR2C (0.47) | HTR2CNFKB1MAOB | |
| SCHEMBL12751389 | 0.73 | DYRK2 (0.51) | HTR2CMAOB | |
| SCHEMBL12751376 | 0.73 | HTR2C (0.45) | HTR2CNFKB1 | |
| SCHEMBL28292786 | 0.73 | LMNA (0.50) | HTR2CMAOB | |
| SCHEMBL28211553 | 0.72 | MYC (0.49) | TNFIL6HTR2CMYCMAX | |
| SCHEMBL28211015 | 0.72 | TNF (0.51) | TNFIL6HTR2CMYCMAX |
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-1951731-A1 | AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Frosst Canada Ltd. (CA) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007056846-A1 | AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2007-05-24 | — | — | WO | disclosed |