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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 9/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8846370 | 0.95 | TSHR (0.42) | SMPD1TSHRTHRBGGPS1FDPS | |
| SCHEMBL16705983 | 0.95 | TSHR (0.42) | SMPD1TSHRTHRBGGPS1FDPS | |
| Ether SCHEMBL7496783 | 0.88 | SMPD1 (0.38) | SMPD1TSHRTHRBGGPS1FDPS | |
| SCHEMBL2191404 | 0.85 | TSHR (0.33) | SMPD1TSHRTHRBFDPS | |
| SCHEMBL6652501 | 0.85 | SMPD1 (0.36) | SMPD1TSHRTHRBGGPS1FDPS | |
| SCHEMBL27762959 | 0.79 | SMPD1 (0.39) | SMPD1TSHRGGPS1FDPSMEN1 | |
| SCHEMBL11761141 | 0.79 | SMPD1 (0.38) | SMPD1TSHRTHRBDNM1FDPS | |
| SCHEMBL28729520 | 0.76 | TSHR (0.38) | SMPD1TSHRTHRBGGPS1FDPS | |
| SCHEMBL23579190 | 0.75 | TSHR (0.42) | SMPD1TSHRTHRBGGPS1FDPS | |
| SCHEMBL14778485 | 0.75 | TSHR (0.42) | SMPD1TSHRTHRBGGPS1FDPS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1097124-A1 | QUATERNARY AMMONIUM SALTS, POLYMERIC FILM CONTAINING THEM AND COLORIMETRIC DEVICE | Sensormetrix International Limited (VG) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002845-A1 | QUATERNARY AMMONIUM SALTS, POLYMERIC FILM CONTAINING THEM AND COLORIMETRIC DEVICE | SENSORMETRIX INTERNATIONAL LIMITED (VG) | 2000-01-20 | — | — | WO | disclosed |