Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL185769 | 0.97 | SLC6A2 (0.50) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL29253660 | 0.94 | SLC6A2 (0.48) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| Water SCHEMBL28298252 | 0.94 | SLC6A2 (0.48) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL29076224 | 0.92 | SLC6A2 (0.46) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| Methylamine SCHEMBL28065528 | 0.90 | TAAR1 (0.56) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| Acetonitrile SCHEMBL28021328 | 0.85 | SLC6A2 (0.46) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27298116 | 0.84 | SMN1; SMN2 (0.41) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19100363 | 0.84 | SMN1; SMN2 (0.45) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27851923 | 0.84 | FAAH (0.45) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15959778 | 0.82 | TAAR1 (0.50) | SLC6A2TAAR1CYP1A2LMNATSHR |
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-107954822-A | A kind of method for preparing diaryl acetylene compound | 浙江大学 | 2018-04-24 | — | — | CN | disclosed |