Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 5/20 | 0.35 |
| ▸ | BCHE | P06276 | 4/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 2/20 | 0.32 |
| ▸ | CCR5 | P51681 | 2/20 | 0.32 |
| ▸ | CCR8 | P51685 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1026768 | 0.76 | ACHE (0.40) | CYP1A2NOS3NOS2NOS1ACHE | |
| SCHEMBL9539910 | 0.75 | CYP1A2 (0.52) | CYP1A2NOS3NOS2NOS1PARP1 | |
| SCHEMBL8834947 | 0.72 | MAPT (0.59) | CYP1A2ACHELMNAHTTNCOA1 | |
| SCHEMBL440082 | 0.69 | LMNA (0.47) | ACHEBCHEGRIN1GRIN2APARP1 | |
| SCHEMBL442244 | 0.69 | ACHE (0.43) | ACHEBCHEGRIN1GRIN2APARP1 | |
| SCHEMBL20123861 | 0.68 | NOS3 (0.45) | CYP1A2NOS3NOS2NOS1CCR1 | |
| SCHEMBL4764348 | 0.68 | KDM4E (0.55) | CYP1A2NOS3NOS2NOS1CCR1 | |
| SCHEMBL26199339 | 0.68 | PARP1 (0.43) | ACHEBCHEGRIN1GRIN2APARP1 | |
| SCHEMBL862232 | 0.67 | CYP1A2 (0.44) | CYP1A2NOS3NOS2NOS1PARP1 | |
| SCHEMBL655615 | 0.66 | CCR1 (0.48) | CYP1A2CCR1CCR5CCR8LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5656634-A | N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) | PFIZER INC. (US) | 1997-08-12 | — | — | US | disclosed |
| US-5362878-A | Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) | PFIZER INC. (US) | 1994-11-08 | — | — | US | disclosed |
| EP-0418071-A2 | New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase | PFIZER INC. (US) | 1991-03-20 | — | — | EP | disclosed |