Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.54 |
| ▸ | NNMT | P40261 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3725359 | 0.82 | PDE4B (0.49) | PDE4BHPGDSSCN9ASCN10A | |
| SCHEMBL3720127 | 0.82 | PDE4B (0.49) | PDE4BHPGDSCYP3A4SCN9ASCN10A | |
| SCHEMBL3717735 | 0.81 | PDE4B (0.57) | PDE4BHPGDSHPGDALDH1A1F2 | |
| SCHEMBL3717384 | 0.79 | PDE4B (0.53) | PDE4BALDH1A1SCN9ASMN1; SMN2 | |
| SCHEMBL3724294 | 0.79 | PDE4B (0.55) | PDE4BHPGDCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL3717123 | 0.78 | ACACB (0.50) | — | |
| SCHEMBL3719988 | 0.78 | PDE4B (0.53) | PDE4BHPGDALDH1A1SCN9ANPC1 | |
| SCHEMBL3717125 | 0.78 | MTNR1A (0.64) | SCN9ASMN1; SMN2MEN1KMT2ASCN10A | |
| SCHEMBL3720702 | 0.78 | PDE4B (0.57) | PDE4BHPGDPPARGALDH1A1GLA | |
| SCHEMBL3718630 | 0.78 | PDE4B (0.54) | PDE4BALDH1A1SCN9A |
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 |