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 | 11/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 11/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 10/20 | 0.40 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.39 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 SCHEMBL2796795 | 1.00 | CA1 (0.43) | CA1CA2ALDH1A1HTTPOLB | |
| Bromide SCHEMBL2796209 | 1.00 | CA1 (0.43) | CA1CA2ALDH1A1HTTPOLB | |
| Bromide SCHEMBL2797650 | 0.96 | CA1 (0.41) | CA1CA2ALDH1A1HTTPOLB | |
| Bromide SCHEMBL2797962 | 0.95 | CA1 (0.40) | CA1CA2ALDH1A1HTTPOLB | |
| Bromide SCHEMBL2792149 | 0.95 | CA1 (0.40) | CA1CA2ALDH1A1HTTPOLB | |
| Bromide SCHEMBL2794500 | 0.95 | CA1 (0.40) | CA1CA2ALDH1A1HTTPOLB | |
| Bromide SCHEMBL2798842 | 0.95 | CA1 (0.40) | CA1CA2ALDH1A1HTTPOLB | |
| Bromide SCHEMBL3044853 | 0.95 | CA1 (0.45) | CA1CA2CHRM2CHRM1CHRM3 | |
| Bromide SCHEMBL2795530 | 0.95 | HTT (0.43) | CA1CA2ALDH1A1HTTPOLB | |
| Hydrochloric Acid SCHEMBL2793696 | 0.94 | HTT (0.45) | CA1CA2ALDH1A1HTTPOLB |
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-2111861-A1 | Compositions of phosphodiesterase type IV inhibitors | Ranbaxy Laboratories Limited (IN) | 2009-10-28 | — | — | EP | claimed |
| EP-2111861-A1 | Compositions of phosphodiesterase type IV inhibitors | Ranbaxy Laboratories Limited (IN) | 2009-10-28 | — | — | EP | disclosed |