Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 8/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 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 | |
|---|---|---|---|---|
| SCHEMBL4692982 | 0.84 | LTA4H (0.64) | SMN1; SMN2LTA4HKCNH2CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL2170240 | 0.83 | LTA4H (0.62) | SMN1; SMN2LTA4HKCNH2CYP3A4CYP1A2 | |
| SCHEMBL4654087 | 0.82 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1TP53MAPTHTT | |
| SCHEMBL11816742 | 0.79 | MAPT (0.57) | SMN1; SMN2NPC1TP53MAPTHTT | |
| SCHEMBL7339194 | 0.78 | KDM4E (0.46) | SMN1; SMN2NPC1MAPTRAB9ACYP3A4 | |
| SCHEMBL2622429 | 0.77 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1TP53MAPTHTT | |
| SCHEMBL22224242 | 0.75 | LTA4H (0.62) | SMN1; SMN2LTA4HKCNH2CYP3A4CYP1A2 | |
| SCHEMBL4512358 | 0.74 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1TP53MAPTHTT | |
| SCHEMBL3717012 | 0.74 | TRPM8 (0.49) | SMN1; SMN2LTA4H | |
| SCHEMBL18580309 | 0.74 | LTA4H (0.45) | SMN1; SMN2NPC1MAPTHTTRAB9A |
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 |