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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.42 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CTBP2 | P56545 | 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 | |
|---|---|---|---|---|
| SCHEMBL5499255 | 0.98 | TAAR1 (0.58) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL475603 | 0.98 | TAAR1 (0.58) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29981544 | 0.98 | TAAR1 (0.58) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Butane SCHEMBL28500537 | 0.95 | TAAR1 (0.56) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31498542 | 0.95 | TAAR1 (0.56) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL10539792 | 0.95 | TAAR1 (0.56) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Octane SCHEMBL28903149 | 0.93 | LIPG (0.55) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Methoxymethane SCHEMBL22720615 | 0.93 | TAAR1 (0.54) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| Hydrogen Peroxide SCHEMBL9770513 | 0.93 | TAAR1 (0.54) | TAAR1LIPGCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1087485 | 0.91 | LIPG (0.57) | TAAR1LIPGTLR8TYR |
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 |