Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 6/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 6/20 | 0.40 |
| ▸ | AR | P10275 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL91807 | 0.91 | AR (0.43) | PDE3BPDE3AARCYP11B1CYP11B2 | |
| SCHEMBL91804 | 0.86 | AKR1C3 (0.41) | PDE3BPDE3AAKR1C3AKR1C2AKR1B10 | |
| SCHEMBL91841 | 0.83 | AR (0.44) | PDE3BPDE3AARAKR1C3AKR1C2 | |
| SCHEMBL91796 | 0.81 | CYP11B1 (0.33) | PDE3BPDE3AARCYP11B1CYP11B2 | |
| SCHEMBL22447434 | 0.81 | AR (0.42) | PDE3BPDE3AARCYP11B1CYP11B2 | |
| SCHEMBL91860 | 0.78 | MAPT (0.38) | PDE3BPDE3AAKR1C3AKR1C2AKR1B10 | |
| SCHEMBL91795 | 0.77 | AKR1C3 (0.45) | PDE3BPDE3AAKR1C3AKR1C2AKR1B10 | |
| SCHEMBL18499512 | 0.76 | PDE3B (0.39) | PDE3BPDE3AAKR1C3AKR1C2ESR1 | |
| SCHEMBL20286643 | 0.76 | ESR2 (0.43) | PDE3BPDE3AAKR1C3AKR1C2ESR1 | |
| SCHEMBL18553115 | 0.76 | AKR1C3 (0.46) | PDE3BPDE3AAKR1C3AKR1C2AKR1B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |