Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Chloroethylclonidine. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 15/20 | 0.56 |
| ▸ | ADRA2B known ✓ | P18089 | 14/20 | 0.56 |
| ▸ | ADRA2C known ✓ | P18825 | 14/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 5/20 | 0.64 |
| ▸ | RAD52 | P43351 | 1/20 | 0.64 |
| ▸ | ADRA1D | P25100 | 11/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 10/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 8/20 | 0.56 |
| ▸ | BLM | P54132 | 3/20 | 0.56 |
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Chloroethylclonidine SCHEMBL18154646 | 0.80 | CYP2D6 (1.00) | CYP2D6ALDH1A1CYP3A4HIF1ATSHR | |
| Brimonidine SCHEMBL28832630 | 0.79 | ADRA2A (0.73) | CYP2D6ALDH1A1CYP3A4HIF1ATSHR | |
| Brimonidine SCHEMBL29374525 | 0.75 | ADRA2A (1.00) | CYP2D6ALDH1A1CYP3A4LMNAADRA2A | |
| Brimonidine SCHEMBL20511531 | 0.75 | ADRA2A (1.00) | CYP2D6ALDH1A1CYP3A4LMNAADRA2A | |
| Brimonidine SCHEMBL24670 | 0.75 | ADRA2A (1.00) | CYP2D6ALDH1A1CYP3A4LMNAADRA2A | |
| Brimonidine SCHEMBL1685506 | 0.74 | ADRA2A (0.97) | CYP2D6ALDH1A1CYP3A4LMNAADRA2A | |
| Brimonidine SCHEMBL22616115 | 0.74 | ADRA2A (0.97) | CYP2D6ALDH1A1CYP3A4LMNAADRA2A | |
| Brimonidine SCHEMBL8603286 | 0.73 | ADRA2A (0.69) | CYP2D6ALDH1A1CYP3A4HIF1ALMNA | |
| Brimonidine SCHEMBL22616205 | 0.70 | ADRA2A (0.81) | CYP2D6ALDH1A1CYP3A4LMNAADRA2A | |
| Brimonidine SCHEMBL22616188 | 0.69 | ADRA2A (0.85) | CYP2D6ALDH1A1CYP3A4LMNAADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110035754-A | Pass through the local nerve adjustment for the treatment of septicemia and the related inflammatory patient's condition of autonomic nerves system | 图拉维治疗股份有限公司 | 2019-07-19 | — | — | CN | disclosed |