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 | 4/20 | 0.44 |
| ▸ | FDPS | P14324 | 2/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.37 |
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 SCHEMBL11248184 | 1.00 | SMPD1 (0.44) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL28463482 | 1.00 | SMPD1 (0.44) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL31244389 | 0.97 | SMPD1 (0.45) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL679279 | 0.97 | SMPD1 (0.45) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL9175206 | 0.97 | SMPD1 (0.45) | SMPD1FDPSDNM1TSHRTHRB | |
| SCHEMBL28466918 | 0.97 | SMPD1 (0.45) | SMPD1FDPSDNM1TSHRTHRB | |
| Ammonia Solution, Strong SCHEMBL28535259 | 0.95 | SMPD1 (0.44) | SMPD1FDPSDNM1TSHRTHRB | |
| Ammonia Solution, Strong SCHEMBL28526695 | 0.95 | SMPD1 (0.44) | SMPD1FDPSDNM1TSHRTHRB | |
| Water SCHEMBL10400449 | 0.95 | SMPD1 (0.44) | SMPD1FDPSDNM1TSHRTHRB | |
| Ammonia Solution, Strong SCHEMBL28528104 | 0.95 | SMPD1 (0.44) | SMPD1FDPSDNM1TSHRTHRB |
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-109678871-B | Method for preparing bisbenzylisoquinoline compounds | 山东师范大学 | 2020-09-29 | — | — | CN | disclosed |