Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
The experimentally established mechanism targets of Cetiedil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.37 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Cetiedil SCHEMBL458084 | 0.90 | CYP3A4 (0.44) | C3AR1LTA4HCYP3A4CYP1A2CYP2D6 | |
| Cetiedil SCHEMBL14169136 | 0.90 | CYP3A4 (0.44) | C3AR1LTA4HCYP3A4CYP1A2CYP2D6 | |
| Cetiedil SCHEMBL121380 | 0.80 | CYP3A4 (0.40) | C3AR1CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL11366829 | 0.73 | SLC6A3 (0.48) | C3AR1CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL17111285 | 0.73 | KMT2A (0.49) | CYP3A4CYP1A2CYP2D6TSHRCHRM2 | |
| SCHEMBL14862650 | 0.72 | SLC6A3 (0.46) | C3AR1CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL6191571 | 0.71 | SLC6A3 (0.40) | C3AR1CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL11368109 | 0.70 | SLC6A3 (0.58) | C3AR1CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL8975472 | 0.70 | TP53 (0.72) | C3AR1CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL11147057 | 0.67 | C3AR1 (0.44) | C3AR1CYP3A4CYP1A2CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-101443771-A | Methods for the identification and functional characterization of agents that modulate ion channel activity | NOVASCREEN BIOSCIENCES (US) | 2009-05-27 | — | — | CN | disclosed |
| EP-1839222-A2 | A METHOD FOR IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF AGENTS WHICH MODULATE ION CHANNEL ACTIVITY | Novascreen Biosciences (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006066219-A2 | A METHOD FOR IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF AGENTS WHICH MODULATE ION CHANNEL ACTIVITY | NOVASCREEN BIOSCIENCES (US) | 2006-06-22 | — | — | WO | disclosed |