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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | SNCA | P37840 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 SCHEMBL9826440 | 0.85 | SMN1; SMN2 (0.58) | KMT2ALMNASNCAMAPTALDH1A1 | |
| SCHEMBL312287 | 0.82 | KMT2A (0.92) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| Bromide SCHEMBL197541 | 0.82 | SNCA (0.61) | KMT2ASNCAMAPTALDH1A1HPGD | |
| Bromide SCHEMBL9546910 | 0.81 | SNCA (0.55) | KMT2ALMNASNCAMAPTALDH1A1 | |
| SCHEMBL8961446 | 0.79 | KMT2A (0.79) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| Bromide SCHEMBL5626209 | 0.79 | SNCA (0.71) | SNCAALDH1A1TSHR | |
| SCHEMBL3083135 | 0.79 | KMT2A (0.79) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| Hydrochloric Acid SCHEMBL1509558 | 0.79 | SNCA (0.58) | KMT2ASNCAMAPTALDH1A1HPGD | |
| Benzyl Benzoate SCHEMBL3038 | 0.79 | KMT2A (1.00) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| Benzyl Benzoate SCHEMBL901058 | 0.79 | KMT2A (1.00) | KMT2ATDP1SLC6A2SLC6A3LMNA |
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-4782085-A | LIPOXYGENASE INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1988-11-01 | — | — | US | disclosed |
| US-4711900-A | LIPOXYGENASE INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1987-12-08 | — | — | US | disclosed |