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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 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 SCHEMBL7657292 | 1.00 | PTGS1 (0.44) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL8399535 | 0.96 | PTGS1 (0.42) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL8399534 | 0.96 | PTGS1 (0.42) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL7654919 | 0.95 | PTGS1 (0.42) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL7654917 | 0.95 | PTGS1 (0.42) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL7654124 | 0.95 | CCR5 (0.39) | PTGS1CHRM2CHRM1CHRM3CHRNA7 | |
| Bromide SCHEMBL7654126 | 0.95 | CCR5 (0.39) | PTGS1CHRM2CHRM1CHRM3CHRNA7 | |
| Bromide SCHEMBL7975707 | 0.91 | CCR5 (0.38) | PTGS1CHRM2CHRM1CHRM3CHRNA7 | |
| Bromide SCHEMBL7660235 | 0.91 | PTGS1 (0.40) | PTGS1CA1CA2CA9CA12 | |
| Bromide SCHEMBL7660240 | 0.91 | PTGS1 (0.40) | PTGS1CA1CA2CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |
| US-6274757-B1 | REACTING AN HYDROXY AMINE CORRESPONDING COMPOUND WITH DICHLORO COMPOUND | NEWLAXANT LLC | 2001-08-14 | — | — | US | disclosed |