Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14352239 | 0.86 | NCF1 (0.58) | PDE10ANCF1TAAR1ADRA1ANQO1 | |
| SCHEMBL3726423 | 0.82 | MTNR1A (0.47) | PDE10A | |
| SCHEMBL3717395 | 0.82 | HDAC1 (0.42) | PDE10ANCF1SLC6A4HTR2ANQO1 | |
| SCHEMBL3717394 | 0.77 | HDAC8 (0.44) | NCF1NQO1CHEK2ALDH1A1KCNH2 | |
| SCHEMBL5928217 | 0.77 | NCF1 (0.54) | PDE10ANCF1TAAR1ADRA1ANQO1 | |
| SCHEMBL3720101 | 0.76 | HTR1A (0.44) | PDE10ANCF1SLC6A4HTR2ANQO1 | |
| SCHEMBL28254830 | 0.74 | NCF1 (0.62) | PDE10ANCF1NQO1ALDH1A1GFER | |
| SCHEMBL14127808 | 0.73 | NCF1 (0.56) | PDE10ANCF1NQO1SLC6A2SLC6A3 | |
| SCHEMBL27596905 | 0.72 | NCF1 (0.54) | PDE10ANCF1NQO1SLC6A2SLC6A3 | |
| SCHEMBL3721624 | 0.72 | MPO (0.44) | TAAR1ADRA1ASLC6A4HTR2ASLC6A2 |
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 |