Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 9/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3724597 | 0.84 | PPARA (0.41) | ALDH1A1PPARDCYP2C9CYP1A2KDM4E | |
| SCHEMBL3722840 | 0.79 | MEN1 (0.45) | ALDH1A1CYP2C9CYP1A2KDM4ERAB9A | |
| SCHEMBL3721105 | 0.77 | THRB (0.34) | ALDH1A1PPARDPPARAPPARG | |
| SCHEMBL3726321 | 0.77 | CYP2C9 (0.52) | ALDH1A1CYP2C9CYP1A2KDM4ECYP17A1 | |
| SCHEMBL3726323 | 0.77 | SMN1; SMN2 (0.43) | ALDH1A1CYP2C9CYP1A2KDM4EPOLB | |
| SCHEMBL3727217 | 0.76 | MEN1 (0.38) | ALDH1A1CYP2C9CYP1A2KDM4ECYP2C19 | |
| SCHEMBL3717756 | 0.76 | SCN9A (0.41) | ALDH1A1CYP2C9CYP1A2KDM4ECYP2C19 | |
| SCHEMBL3725363 | 0.74 | ESRRA (0.47) | FFAR1PPARG | |
| SCHEMBL3719849 | 0.73 | KDM4E (0.44) | CYP1A2KDM4ERAB9A | |
| SCHEMBL3720547 | 0.72 | SCN7A (0.45) | — |
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 1 patent. 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 |