Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | MDM4 | O15151 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 4/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.30 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20225109 | 0.83 | SHBG (0.42) | SHBG | |
| SCHEMBL23239220 | 0.68 | BACE1 (0.46) | SHBGPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13140673 | 0.68 | PRKCE (0.46) | SHBGPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23225945 | 0.68 | SHBG (0.55) | SHBG | |
| SCHEMBL17578343 | 0.68 | TP53 (0.44) | SHBG | |
| SCHEMBL2904830 | 0.68 | ACHE (0.41) | TACR1 | |
| SCHEMBL22222032 | 0.67 | AMY1A (0.49) | SHBGPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25446790 | 0.67 | SHBG (0.54) | SHBG | |
| SCHEMBL16257501 | 0.66 | PRKCE (0.47) | SHBGPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8256610 | 0.66 | PGK1 (0.39) | TACR1 |
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-20230194989-A1 | ETHYNYL DERIVED COMPOSITE, A COMPOSITION COMPRISING THEREOF, A METHOD FOR MANUFACTURING A COATING BY IT, AND A METHOD FOR MANUFACTURING A DEVICE COMPRISING THE COATING | MERCK PATENT GMBH (DE) | 2023-06-22 | — | — | US | disclosed |