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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 4/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6151810 | 0.99 | MAPT (0.42) | MAPTALDH1A1LMNAKAT2BBCHE | |
| Bromide SCHEMBL7666289 | 0.88 | MAPT (0.40) | MAPTALDH1A1LMNAKAT2BBCHE | |
| Bromide SCHEMBL7671249 | 0.87 | MAPT (0.40) | MAPTALDH1A1LMNAKAT2BBCHE | |
| SCHEMBL6152229 | 0.87 | MAPT (0.41) | MAPTALDH1A1LMNAKAT2BBCHE | |
| SCHEMBL6151858 | 0.86 | MAPT (0.40) | MAPTALDH1A1LMNAKAT2BBCHE | |
| Hydrochloric Acid SCHEMBL7667033 | 0.86 | MAPT (0.40) | MAPTALDH1A1LMNAKAT2BBCHE | |
| Bromide SCHEMBL7668911 | 0.82 | MAPT (0.39) | MAPTALDH1A1LMNAKAT2BBCHE | |
| SCHEMBL6151790 | 0.81 | MAPT (0.40) | MAPTALDH1A1LMNAKAT2BBCHE | |
| SCHEMBL6151518 | 0.80 | TSHR (0.39) | MAPTALDH1A1LMNATSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL7662031 | 0.79 | TSHR (0.38) | MAPTALDH1A1LMNATSHRCYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6464731-B1 | 1-(3-(4-AMINO-2-CHLORO-5-NITROPHENYLAMINO)PROPYL)-3-METHYL-3H -IMIDAZOL-1-IUM BROMIDE USED AS DIRECT HAIR DYES; SOLUBILITY AND PHOTOSTABILITY | L'OREAL S.A. (FR) | 2002-10-15 | — | — | US | disclosed |