Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 7/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.47 |
| ▸ | PDE4A | P27815 | 3/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL12820359 | 0.80 | CYP11B1 (0.44) | CYP11B1CYP11B2PDE4APDE4CPDE4D | |
| SCHEMBL12819925 | 0.76 | PRKCQ (0.39) | PDE4APDE4CHTR2AHTR2CAR | |
| SCHEMBL7601620 | 0.73 | CYP11B1 (0.45) | CYP11B1CYP11B2PDE4APDE4CPDE4D | |
| SCHEMBL11250873 | 0.67 | GAA (0.52) | — | |
| SCHEMBL14555724 | 0.66 | CYP11B2 (0.65) | CYP11B1CYP11B2EGLN2TRPV4 | |
| SCHEMBL19755354 | 0.66 | CNR2 (0.37) | CYP11B1CYP11B2PDE4APDE4CPDE4D | |
| SCHEMBL15248404 | 0.66 | KDM4E (0.45) | CYP11B1CYP11B2 | |
| SCHEMBL18297999 | 0.66 | CYP11B2 (0.67) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL4580915 | 0.65 | EGLN2 (0.48) | CYP11B1CYP11B2EGLN2KDM1A | |
| SCHEMBL1514257 | 0.65 | CYP11B1 (0.78) | CYP11B1CYP11B2TRPV4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012126084-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE IΝ THE TREATMENT AND PREVENTION OF FUNGAL INFECTIONS | PHARMASCIENCE INC. (CA) | 2012-09-27 | — | — | WO | disclosed |
| WO-2011035417-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE FN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |