Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Demiditraz. 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 | P08913 | 7/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 7/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | F2RL1 | P55085 | 6/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Demiditraz SCHEMBL29388955 | 0.93 | ADRA2A (0.61) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Demiditraz SCHEMBL696353 | 0.93 | ADRA2A (0.61) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Demiditraz SCHEMBL697081 | 0.93 | ADRA2A (0.61) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| Demiditraz SCHEMBL617479 | 0.93 | ADRA2A (0.61) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL702593 | 0.79 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL13034019 | 0.79 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL700615 | 0.79 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL3532392 | 0.79 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL14462564 | 0.79 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1AADRA1B | |
| SCHEMBL702854 | 0.78 | ADRA2A (0.58) | ADRA2AADRA2BADRA2CADRA1AADRA1B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689630-A | Diaryl azole compound and pest control agent | 日本曹达株式会社 | 2019-04-26 | — | — | CN | disclosed |
| CN-108430976-A | Arylpyrazole compound and pest control agent | 日本曹达株式会社 | 2018-08-21 | — | — | CN | disclosed |
| CN-107635967-A | Diaryl azole compound and pest control agent | 日本曹达株式会社 | 2018-01-26 | — | — | CN | disclosed |
| CN-106573894-A | Diaryl imidazole compound and pest control agent | 日本曹达株式会社 | 2017-04-19 | — | — | CN | disclosed |
| CN-106232112-A | Parasite control or extermination agent | 日本曹达株式会社 | 2016-12-14 | — | — | CN | disclosed |