Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL9849506 | 0.79 | KDM4E (0.39) | KDM4ETLR7CYP17A1LMNAPOLB | |
| SCHEMBL9849295 | 0.78 | TSHR (0.55) | TLR8CYP19A1 | |
| SCHEMBL9849636 | 0.77 | TSHR (0.54) | TLR8 | |
| SCHEMBL9849555 | 0.75 | ALDH1A1 (0.43) | TLR8TLR7LMNAPOLBHRH2 | |
| SCHEMBL5305103 | 0.73 | KDM4E (0.55) | KDM4ECYP17A1POLBCYP19A1 | |
| SCHEMBL16836321 | 0.70 | TLR8 (0.74) | TLR8TLR7 | |
| Dimethylamine SCHEMBL10651852 | 0.70 | KDM4E (0.54) | KDM4ECYP17A1POLBCYP19A1 | |
| SCHEMBL9849435 | 0.70 | KDM4E (0.49) | KDM4ELMNA | |
| SCHEMBL11017730 | 0.66 | KDM4E (0.50) | KDM4ECYP17A1CYP19A1 | |
| SCHEMBL16836395 | 0.66 | TLR8 (0.74) | KDM4ETLR8TLR7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0446604-A2 | Pyridine and related aza heterocycle derivatives as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |