Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 3/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8037370 | 0.96 | PNMT (0.40) | PNMTDPP4NCF1TAAR1LOXL2 | |
| SCHEMBL8035325 | 0.94 | PNMT (0.39) | PNMTDPP4NCF1TAAR1LOXL2 | |
| SCHEMBL8033443 | 0.94 | PNMT (0.39) | PNMTDPP4NCF1TAAR1LOXL2 | |
| SCHEMBL8033530 | 0.92 | PNMT (0.38) | PNMTDPP4NCF1TAAR1 | |
| Bromide SCHEMBL8033177 | 0.78 | PNMT (0.43) | PNMTDPP4NCF1TAAR1LOXL2 | |
| Hydrochloric Acid SCHEMBL8032966 | 0.74 | PNMT (0.43) | PNMTDPP4NCF1TAAR1LOXL2 | |
| SCHEMBL8033198 | 0.73 | PNMT (0.39) | PNMTDPP4NCF1TAAR1LOXL2 | |
| SCHEMBL8037260 | 0.73 | PNMT (0.39) | PNMTDPP4NCF1TAAR1LOXL2 | |
| SCHEMBL8023680 | 0.73 | PNMT (0.32) | PNMTDPP4 | |
| SCHEMBL8035413 | 0.73 | PNMT (0.35) | PNMTDPP4NCF1SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6022822-A | Organotin compound and catalyst for transesterification comprising the same | RYOJI NOYORI (JP) | 2000-02-08 | — | — | US | disclosed |