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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 5/20 | 0.50 |
| ▸ | FDPS | P14324 | 3/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | 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 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28555831 | 1.00 | SMPD1 (0.50) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL16618547 | 0.98 | SMPD1 (0.52) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL27995345 | 0.98 | SMPD1 (0.52) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL8979939 | 0.98 | SMPD1 (0.52) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL8979977 | 0.95 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL9295299 | 0.89 | SMPD1 (0.44) | SMPD1FDPS | |
| SCHEMBL16618735 | 0.88 | SMPD1 (0.41) | SMPD1FDPSTSHR | |
| Hydrochloric Acid SCHEMBL7700747 | 0.80 | SMPD1 (0.36) | SMPD1 | |
| SCHEMBL3720586 | 0.78 | FDPS (0.33) | SMPD1FDPS | |
| SCHEMBL9682320 | 0.77 | SMPD1 (0.50) | SMPD1FDPSTSHRTHRBMEN1 |
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-112708066-A | Crosslinking air-entraining water reducer and preparation method thereof | 科之杰新材料集团有限公司 | 2021-04-27 | — | — | CN | disclosed |