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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL472095 | 0.96 | ALDH1A1 (0.43) | ALDH1A1OPRM1OPRD1OPRK1CYP1A2 | |
| Fluoride SCHEMBL23302253 | 0.93 | ALDH1A1 (0.42) | ALDH1A1OPRM1OPRD1OPRK1CYP1A2 | |
| SCHEMBL20438511 | 0.84 | LMNA (0.41) | ALDH1A1OPRM1OPRD1OPRK1LMNA | |
| SCHEMBL13652974 | 0.84 | OPRM1 (0.37) | ALDH1A1OPRM1OPRD1OPRK1CYP1A2 | |
| SCHEMBL12039787 | 0.84 | OPRM1 (0.37) | ALDH1A1OPRM1OPRD1OPRK1CYP1A2 | |
| SCHEMBL19543354 | 0.83 | CYP1A2 (0.43) | ALDH1A1OPRM1OPRD1OPRK1CYP1A2 | |
| SCHEMBL13759584 | 0.83 | CYP1A2 (0.43) | ALDH1A1OPRM1OPRD1OPRK1CYP1A2 | |
| SCHEMBL20438366 | 0.83 | ALDH1A1 (0.40) | ALDH1A1OPRM1OPRD1OPRK1CYP1A2 | |
| SCHEMBL11456398 | 0.82 | OPRM1 (0.36) | ALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL9945688 | 0.82 | ALDH1A1 (0.46) | ALDH1A1OPRM1OPRD1OPRK1CYP1A2 |
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-6596911-B2 | Providing a mixture comprising water and a hydrocarbon; and contacting with onium compound and amine salt for inhibiting the formation of the hydrocarbon hydrates | BAKER HUGHES INCORPORATION | 2003-07-22 | — | — | US | claimed |