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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL10292049 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TRPA1CA12CA1CA2 | |
| SCHEMBL254842 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TRPA1CA12CA1CA2 | |
| SCHEMBL9256154 | 0.78 | CHRNB2 (0.55) | ALDH1A1TRPA1CA12CA1CA2 | |
| SCHEMBL6461668 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TRPA1CA12CA1CA2 | |
| SCHEMBL13479942 | 0.78 | CHRNB2 (0.45) | ALDH1A1TRPA1CA12CA1CA2 | |
| SCHEMBL995722 | 0.78 | LMNA (0.40) | ALDH1A1CA12CA1CA2CA9 | |
| Ammonia Solution, Strong SCHEMBL29011843 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TRPA1CA12CA1CA2 | |
| SCHEMBL9357923 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL21391225 | 0.77 | ALDH1A1 (0.42) | ALDH1A1TRPA1CA12CA1CA2 | |
| SCHEMBL8141657 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TRPA1CA12CA1CA2 |
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-5290951-A | Anticoagulants, antiserotonine agents | ELF SANOFI (FR) | 1994-03-01 | — | — | US | disclosed |
| US-5166416-A | Cardiovascular disorders or antagonist of HT2 receptors | SOCIETE ANONYME: SANOFI (FR) | 1992-11-24 | — | — | US | disclosed |