Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | RGS12 | O14924 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5731973 | 0.84 | CNR1 (0.41) | CYP2C9CYP2C19CNR1CNR2CHRM3 | |
| SCHEMBL8690413 | 0.79 | CYP3A4 (0.38) | CYP2C9CYP2C19CYP3A4CYP17A1TSHR | |
| SCHEMBL8615318 | 0.75 | CYP3A4 (0.36) | CYP2C9CYP2C19CYP3A4CYP17A1CHRM3 | |
| SCHEMBL19475219 | 0.74 | — | — | |
| SCHEMBL14777822 | 0.72 | — | — | |
| SCHEMBL5164470 | 0.72 | — | — | |
| SCHEMBL12006685 | 0.72 | CNR1 (0.41) | CYP2C9CYP2C19CNR1CNR2CHRM3 | |
| SCHEMBL3906605 | 0.72 | RGS12 (0.44) | CYP2C19CYP3A4CNR1CNR2CHRM3 | |
| SCHEMBL8616899 | 0.71 | CNR1 (0.33) | CNR1CNR2CHRM3ESR1 | |
| SCHEMBL27817636 | 0.71 | — | — |
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-1999119-A2 | NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME | Abbott Laboratories (US) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007095602-A2 | NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME | ABBOTT LABORATORIES (US) | 2007-08-23 | — | — | WO | disclosed |