Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 17/20 | 0.44 |
| ▸ | ACACA | Q13085 | 11/20 | 0.44 |
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 | 0.93 | CYP17A1 (0.51) | CYP17A1CYP2C9CYP2C19ACACBACACA | |
| SCHEMBL13077068 | 0.87 | ACACB (0.56) | ACACBACACA | |
| SCHEMBL3722464 | 0.86 | CYP17A1 (0.41) | CYP17A1CYP2C9CYP2C19ACACBACACA | |
| SCHEMBL3722350 | 0.84 | TAS1R3 (0.56) | ACACBACACA | |
| SCHEMBL3726321 | 0.84 | CYP2C9 (0.52) | CYP17A1CYP2C9CYP2C19ACACBACACA | |
| SCHEMBL3721454 | 0.83 | ACACB (0.47) | ACACBACACA | |
| SCHEMBL3727158 | 0.83 | ACACB (0.62) | CYP2C9CYP2C19ACACBACACA | |
| SCHEMBL13076447 | 0.83 | ACACB (0.56) | ACACBACACA | |
| SCHEMBL13077221 | 0.82 | ACACB (0.57) | ACACBACACA | |
| SCHEMBL3716764 | 0.81 | ACACB (0.54) | 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 2 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 | disclosed |
| WO-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |