Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4508992 | 0.85 | NPC1 (0.41) | PTGDR2P2RX3CYP26A1CYP1A2CYP3A4 | |
| SCHEMBL4511372 | 0.78 | NPC1 (0.44) | P2RX3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4520509 | 0.75 | NPC1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL4518430 | 0.73 | NPC1 (0.43) | P2RX3CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15252374 | 0.73 | SMN1; SMN2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL4519186 | 0.72 | NPC1 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL2622429 | 0.71 | SMN1; SMN2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL2622428 | 0.71 | ACACB (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL18269847 | 0.70 | SMN1; SMN2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL4790440 | 0.70 | ACACB (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 |
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 | claimed |
| 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 | claimed |