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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GRK2 | P25098 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
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 SCHEMBL8396906 | 1.00 | ALDH1A1 (0.38) | ALDH1A1MAPTCYP2C9CYP2C19CYP1A2 | |
| Bromide SCHEMBL8396930 | 0.86 | ALOX15 (0.41) | — | |
| Bromide SCHEMBL7661951 | 0.86 | CCR5 (0.35) | ALDH1A1KDM4EPOLBCYP3A4GAA | |
| Bromide SCHEMBL7661952 | 0.86 | CCR5 (0.35) | ALDH1A1KDM4EPOLBCYP3A4GAA | |
| Bromide SCHEMBL8396943 | 0.83 | PTGS1 (0.41) | ALDH1A1MAPTPOLBKMT2ACYP3A4 | |
| Bromide SCHEMBL8396939 | 0.83 | PTGS1 (0.41) | ALDH1A1MAPTPOLBKMT2ACYP3A4 | |
| Bromide SCHEMBL8400730 | 0.82 | CHRM3 (0.35) | — | |
| Bromide SCHEMBL8398235 | 0.81 | POLB (0.36) | CYP2C9CYP2C19CYP1A2POLBKMT2A | |
| Hydrochloric Acid SCHEMBL8396891 | 0.79 | POLB (0.36) | CYP2C9CYP2C19CYP1A2POLBKMT2A | |
| Bromide SCHEMBL8400689 | 0.79 | CHRM3 (0.33) | — |
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-5990124-A | ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE | GYERMEK LASZLO (US) | 1999-11-23 | — | — | US | disclosed |