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 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | PTGES | O14684 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 SCHEMBL7872610 | 0.84 | SNCA (0.41) | MEN1MAPTKMT2ANPSR1LTA4H | |
| Bromide SCHEMBL28286810 | 0.84 | PPARG (0.44) | PPARGMEN1NR1I2LMNACHRM2 | |
| Bromide SCHEMBL4850474 | 0.83 | SNCA (0.35) | — | |
| Bromide SCHEMBL19326868 | 0.82 | SNCA (0.40) | — | |
| Water SCHEMBL4390663 | 0.81 | HTR1A (0.40) | MEN1MAPTKMT2ANPSR1LTA4H | |
| Hydrochloric Acid SCHEMBL7874564 | 0.81 | HTR1A (0.40) | MEN1MAPTKMT2ANPSR1LTA4H | |
| SCHEMBL7865387 | 0.80 | HTR1A (0.39) | MEN1MAPTKMT2ANPSR1LTA4H | |
| SCHEMBL7873044 | 0.79 | HTR1A (0.38) | MEN1MAPTKMT2ANPSR1LTA4H | |
| Bromide SCHEMBL5571267 | 0.79 | LTA4H (0.55) | LMNACYP3A4LTA4H | |
| Bromide SCHEMBL10383607 | 0.79 | CYP3A4 (0.44) | PPARGMEN1NR1I2LMNACHRM2 |
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-7422702-B2 | Benzene derivative having long, linear conjugated structure, process for producing benzene derivative, and liquid-crystal material | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2008-09-09 | — | — | US | disclosed |
| US-20060278848-A1 | Benzene derivative having long linear conjugated structure moeity, method for production thereof and liquid crystalline material | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2006-12-14 | — | — | US | disclosed |