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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 4/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.34 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.34 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9628080 | 0.97 | FDPS (0.44) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL516233 | 0.97 | FDPS (0.44) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL14840254 | 0.94 | SMPD1 (0.46) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL10889107 | 0.94 | SMPD1 (0.46) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL11032005 | 0.94 | SMPD1 (0.46) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL23795740 | 0.94 | SMPD1 (0.46) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL5870102 | 0.94 | SMPD1 (0.46) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL4894090 | 0.94 | SMPD1 (0.46) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL14840626 | 0.94 | SMPD1 (0.46) | FDPSSMPD1DNM1TSHRTHRB | |
| SCHEMBL4891569 | 0.94 | SMPD1 (0.46) | FDPSSMPD1DNM1TSHRTHRB |
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-112679498-B | Quaternary ammonium sulfonate compound and preparation method and application thereof | 北京耀诚惠仁科技有限公司 | 2022-11-29 | — | — | CN | disclosed |