Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Cetalkonium. 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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.43 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Benzododecinium SCHEMBL330680 | 0.99 | DNM1 (0.72) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| SCHEMBL332022 | 0.99 | DNM1 (0.72) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| SCHEMBL331114 | 0.99 | DNM1 (0.72) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| Benzododecinium SCHEMBL2149522 | 0.91 | DNM1 (0.65) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| SCHEMBL2150486 | 0.91 | DNM1 (0.65) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| SCHEMBL2149596 | 0.91 | DNM1 (0.65) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| Cetalkonium SCHEMBL16163551 | 0.90 | DNM1 (0.81) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| Sulfuric Acid SCHEMBL5457901 | 0.90 | DNM1 (0.81) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| Benzododecinium SCHEMBL28893542 | 0.90 | DNM1 (0.81) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 | |
| SCHEMBL9494532 | 0.90 | DNM1 (0.63) | DNM1MEN1KMT2ASMN1; SMN2MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1281581-C | Alkyl benzene sulfonate, its preparation method ,alkyl benzene sulfonate surfactant and its application in tertiary oil recovery | DAQING OILFIELD CO LTD (CN) | 2006-10-25 | — | — | CN | disclosed |
| CN-1569824-A | Alkyl benzene sulfonate, its preparation method ,alkyl benzene sulfonate surfactant and its application in tertiary oil recovery | DAQING OILFIELD CO LTD (CN) | 2005-01-26 | — | — | CN | disclosed |