Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Brimonidine. 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 | 18/20 | 0.73 |
| ▸ | ADRA2B known ✓ | P18089 | 17/20 | 0.73 |
| ▸ | ADRA2C known ✓ | P18825 | 17/20 | 0.73 |
| ▸ | ADRA1D | P25100 | 13/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 12/20 | 0.73 |
| ▸ | ADRA1B | P35368 | 11/20 | 0.73 |
| ▸ | LMNA | P02545 | 5/20 | 0.73 |
| ▸ | BLM | P54132 | 4/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | HTR1A | P08908 | 2/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.73 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Brimonidine SCHEMBL2229098 | 0.86 | ADRA2A (0.65) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Brimonidine SCHEMBL29374525 | 0.85 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Brimonidine SCHEMBL20511531 | 0.85 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Brimonidine SCHEMBL24670 | 0.85 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Brimonidine SCHEMBL1685506 | 0.84 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Brimonidine SCHEMBL22616115 | 0.84 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Apraclonidine SCHEMBL34128 | 0.79 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Brimonidine SCHEMBL22616188 | 0.79 | ADRA2A (0.85) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Chloroethylclonidine SCHEMBL28305822 | 0.79 | CYP2D6 (0.65) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Brimonidine SCHEMBL22616237 | 0.78 | ADRA2A (0.83) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |