Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 13/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4655320 | 0.84 | POLB (0.39) | SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4689887 | 0.84 | CYP1A2 (0.60) | SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4654246 | 0.82 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL12967445 | 0.75 | KDM4E (0.60) | SMN1; SMN2NPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL4519276 | 0.74 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3719408 | 0.74 | LTA4H (0.47) | SMN1; SMN2NPC1RAB9AL3MBTL1HTT | |
| SCHEMBL2622431 | 0.74 | L3MBTL1 (0.55) | SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15252862 | 0.74 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11816742 | 0.74 | MAPT (0.57) | SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13588690 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19 |
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-1996567-A2 | NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME | ABBOTT LABORATORIES (US) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007095601-A2 | NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME | ABBOTT LABORATORIES (US) | 2007-08-23 | — | — | WO | disclosed |