Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 10/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3521078 | 0.82 | CES1 (0.50) | CES1CYP1A2CYP2D6SRCKIF11 | |
| SCHEMBL15231885 | 0.79 | CES1 (0.47) | CES1CYP1A2CYP2D6SRCMAPT | |
| SCHEMBL3396019 | 0.73 | CYP2D6 (0.53) | CYP1A2CYP2D6KIF11MAPTKMT2A | |
| SCHEMBL1131649 | 0.72 | KCNA5 (0.49) | CYP1A2CYP2D6KIF11MAPTKMT2A | |
| SCHEMBL607719 | 0.72 | KCNA5 (0.49) | CYP1A2CYP2D6KIF11MAPTKMT2A | |
| SCHEMBL1131651 | 0.72 | KCNA5 (0.49) | CYP1A2CYP2D6KIF11MAPTKMT2A | |
| SCHEMBL43695 | 0.71 | CES1 (0.48) | CES1CYP1A2CYP2D6SRCMAPT | |
| SCHEMBL8620148 | 0.71 | KCNA5 (0.47) | CYP1A2CYP2D6KIF11KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL6543863 | 0.71 | KCNA5 (0.47) | CYP1A2CYP2D6KIF11KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL6543858 | 0.71 | KCNA5 (0.47) | CYP1A2CYP2D6KIF11KMT2ALMNA |
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-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |