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 | 0.46 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.46 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL40575 | 0.94 | — | — | |
| Benzene SCHEMBL3223041 | 0.94 | TP53 (0.58) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL11594885 | 0.94 | TP53 (0.58) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Benzene SCHEMBL28308118 | 0.94 | TP53 (0.58) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Hydrochloric Acid SCHEMBL5792976 | 0.92 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL10686071 | 0.92 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL9420959 | 0.92 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Bromide SCHEMBL7216374 | 0.92 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL31498535 | 0.92 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 | |
| Iodide SCHEMBL10910035 | 0.92 | TP53 (0.55) | TP53ALDH1A1HPGDALOX15ALOX12 |
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-5455271-A | Using aromatic amine derivitives as mosquito insecticide | THE SCRIPPS RESEARCH INSTITUTE (US) | 1995-10-03 | — | — | US | disclosed |
| WO-1994000420-A1 | NOVEL TIGHT-BINDING INHIBITORS OF LEUKOTRIENE A4 HYDROLASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-01-06 | — | — | WO | disclosed |