Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 15/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ACACA | Q13085 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 2/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3721936 | 0.87 | CYP17A1 (0.47) | ACACBCYP17A1CYP2C9CYP2C19HCRTR1 | |
| SCHEMBL13076352 | 0.85 | ACACB (0.49) | ACACBMGLLHCRTR1TDP1 | |
| SCHEMBL13076454 | 0.81 | ACACB (0.59) | ACACBACACAHCRTR1TDP1 | |
| SCHEMBL3726321 | 0.79 | CYP2C9 (0.52) | ACACBCYP17A1CYP2C9CYP2C19ACACA | |
| SCHEMBL3718634 | 0.78 | CYP17A1 (0.51) | ACACBCYP17A1CYP2C9CYP2C19ACACA | |
| SCHEMBL3720848 | 0.77 | CYP17A1 (0.46) | ACACBCYP17A1CYP2C9CYP2C19ACACA | |
| SCHEMBL3722380 | 0.76 | SMN1; SMN2 (0.46) | ACACBMGLLMEN1LMNAKMT2A | |
| SCHEMBL3722840 | 0.75 | MEN1 (0.45) | CYP2C9MGLLMEN1LMNAKMT2A | |
| SCHEMBL3722464 | 0.72 | CYP17A1 (0.41) | ACACBCYP17A1CYP2C9CYP2C19ACACA | |
| SCHEMBL3726815 | 0.72 | ACACB (0.74) | 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 |