Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
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 | 0.88 | AR (0.43) | ARS1PR1PDE3BPDE3AHSP90AB1 | |
| SCHEMBL22447434 | 0.88 | AR (0.42) | ARS1PR1PDE3BPDE3AHSP90AB1 | |
| SCHEMBL91863 | 0.83 | PDE3B (0.40) | ARPDE3BPDE3AHSP90AB1ESR1 | |
| SCHEMBL91836 | 0.82 | GPR3 (0.37) | ARNOTUMS1PR1HSP90AB1ESR1 | |
| SCHEMBL17297890 | 0.80 | AR (0.61) | ARNOTUMS1PR1PDE3BPDE3A | |
| SCHEMBL26529413 | 0.79 | ESR2 (0.47) | ESR1ESR2 | |
| SCHEMBL30742956 | 0.79 | NOTUM (0.53) | ARNOTUMS1PR1PDE3BPDE3A | |
| SCHEMBL5949403 | 0.79 | NOTUM (0.53) | ARNOTUMS1PR1PDE3BPDE3A | |
| SCHEMBL84053 | 0.79 | SMN1; SMN2 (0.44) | ARNOTUMS1PR1PDE3BPDE3A | |
| SCHEMBL30742957 | 0.79 | NOTUM (0.53) | ARNOTUMS1PR1PDE3BPDE3A |
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 |