Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.38 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3721868 | 0.91 | PDE4B (0.48) | PDE4BSCN9ASCN7AKCNH2ALDH1A1 | |
| SCHEMBL3721089 | 0.85 | PDE4B (0.53) | PDE4BSCN9ASCN7AKCNH2ALDH1A1 | |
| SCHEMBL3719225 | 0.84 | PDE4B (0.46) | PDE4BSCN9ASCN7AKCNH2ALDH1A1 | |
| SCHEMBL3726370 | 0.84 | PDE4B (0.47) | PDE4BSCN9ASCN7AKCNH2ALDH1A1 | |
| SCHEMBL3720793 | 0.84 | ACACB (0.46) | ACACB | |
| SCHEMBL3724232 | 0.83 | PDE4B (0.46) | PDE4BALDH1A1KDM2BPPARGACACB | |
| SCHEMBL3724295 | 0.82 | PDE4B (0.46) | PDE4BALDH1A1TSHRPPARGPKM | |
| SCHEMBL3721926 | 0.81 | PDE4B (0.44) | PDE4BKDM2BACACB | |
| SCHEMBL3720071 | 0.80 | PDE4B (0.49) | PDE4BSCN9ASCN7AKCNH2MAPK14 | |
| SCHEMBL3717291 | 0.80 | MAPT (0.34) | PDE4BSCN9AALDH1A1TSHRGAA |
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 |