Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 9/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3721946 | 0.87 | SCN9A (0.40) | AKR1C3AKR1C2AKR1C1PTGS1SCN9A | |
| SCHEMBL3720891 | 0.84 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1SCN9A | |
| SCHEMBL3721431 | 0.82 | PDE4B (0.53) | AKR1C3AKR1C2AKR1C1PTGS1SCN9A | |
| SCHEMBL3726204 | 0.81 | LOXL2 (0.49) | SCN9AF2PDE4B | |
| SCHEMBL3717827 | 0.80 | ALDH1A1 (0.49) | — | |
| SCHEMBL3720365 | 0.78 | MAPT (0.41) | — | |
| SCHEMBL3717202 | 0.78 | ACACB (0.38) | — | |
| SCHEMBL3717681 | 0.78 | HTT (0.49) | — | |
| SCHEMBL3722365 | 0.77 | ALOX5 (0.38) | SCN9ASCN10A | |
| SCHEMBL3720293 | 0.77 | GLA (0.42) | — |
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 |