Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.73 |
| ▸ | CES1 | P23141 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | GSK3B | P49841 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | ALAD | P13716 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL425130 | 0.82 | — | — | |
| SCHEMBL31255574 | 0.81 | CES2 (0.55) | CES2CES1ALDH1A1GSK3BLMNA | |
| SCHEMBL31255568 | 0.81 | CES2 (0.55) | CES2CES1ALDH1A1GSK3BLMNA | |
| SCHEMBL26075493 | 0.80 | — | — | |
| SCHEMBL3450 | 0.80 | — | — | |
| SCHEMBL1476269 | 0.80 | — | — | |
| SCHEMBL3431409 | 0.80 | — | — | |
| SCHEMBL1032788 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11059604 | 0.80 | CES2 (0.67) | CES2CES1ALDH1A1GSK3BLMNA | |
| SCHEMBL7042209 | 0.78 | CES2 (0.78) | CES2CES1ALDH1A1GSK3BLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100343256-C | Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | CN | claimed |
| CN-1678615-A | Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists | ASTRAZENECA AB (SE) | 2005-10-05 | — | — | CN | claimed |
| CN-100343256-C | Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | CN | disclosed |
| CN-1678615-A | Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists | ASTRAZENECA AB (SE) | 2005-10-05 | — | — | CN | disclosed |