Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 17/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.42 |
| ▸ | ACACA | Q13085 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718634 | 0.86 | CYP17A1 (0.51) | ACACBCACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL3726420 | 0.86 | ACACB (0.47) | ACACBKCNH2ACACA | |
| SCHEMBL3728856 | 0.84 | ACACB (0.42) | ACACBACACA | |
| SCHEMBL3720296 | 0.81 | SCN9A (0.45) | CYP2C9SCN9A | |
| SCHEMBL3717756 | 0.79 | SCN9A (0.41) | CYP2C9CYP3A4SCN9ACYP2C19 | |
| SCHEMBL3720848 | 0.79 | CYP17A1 (0.46) | ACACBACACACYP2C9CYP2C19CYP17A1 | |
| SCHEMBL3727616 | 0.76 | ESRRA (0.52) | CYP2C9CYP2C19CYP17A1 | |
| SCHEMBL3726321 | 0.75 | CYP2C9 (0.52) | ACACBACACACYP2C9CYP2C19CYP17A1 | |
| SCHEMBL3718635 | 0.74 | PPARA (0.45) | ACACBCYP2C9SCN9A | |
| SCHEMBL13077221 | 0.74 | ACACB (0.57) | ACACBACACA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | claimed |
| WO-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |