Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6328600 | 0.80 | CES1 (0.47) | CES1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL452703 | 0.78 | CES1 (0.49) | CES1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL390943 | 0.78 | CES1 (0.52) | CES1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL6321356 | 0.76 | CHRM2 (0.48) | CES1CHRM2CHRM1CHRM3ALDH1A1 | |
| SCHEMBL4929013 | 0.76 | CES1 (0.46) | CES1ALDH1A1SRCLMNASIGMAR1 | |
| SCHEMBL8036704 | 0.74 | SCN5A (0.49) | CES1SRCSIGMAR1 | |
| SCHEMBL11789186 | 0.74 | CES1 (0.50) | CES1ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL11667545 | 0.73 | SCN5A (0.51) | CES1SIGMAR1 | |
| SCHEMBL8753682 | 0.73 | SCN5A (0.51) | CES1SIGMAR1 | |
| SCHEMBL15865137 | 0.73 | SCN5A (0.51) | CES1SIGMAR1 |
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-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |