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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL7514168 | 0.99 | ALDH1A1 (0.41) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| Bromide SCHEMBL7081181 | 0.80 | MEN1 (0.46) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7505513 | 0.79 | MEN1 (0.46) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| Bromide SCHEMBL7085526 | 0.76 | NPC1 (0.44) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7508898 | 0.74 | NPC1 (0.45) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| Bromide SCHEMBL6570178 | 0.74 | TUBB4A (0.36) | ALDH1A1MAPTMEN1KMT2ACYP1A2 | |
| Bromide SCHEMBL6267968 | 0.74 | APP (0.35) | MAPT | |
| SCHEMBL14497414 | 0.74 | MAPT (0.35) | ALDH1A1MAPTSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7257152 | 0.73 | APP (0.34) | MAPT | |
| SCHEMBL2930175 | 0.73 | TUBB4A (0.37) | ALDH1A1MAPTNPC1RAB9AMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030073853-A1 | Cationic aminoanthraquinones, their use for dyeing keratinous fibers, dyeing compositions containing them and methods of dyeing | L'OREAL S.A. | 2003-04-17 | — | — | US | claimed |
| US-6437149-B1 | AT LEAST ONE CATIONIC CHARGE IS DELOCALIZED ON A 5-MEMBERED UNSATURATED POLYNITROGEN RING; DIRECT HAIR DYES, SOLUBILITY, COLORFAST | L'OREAL S.A. (FR) | 2002-08-20 | — | — | US | claimed |
| EP-1006154-B1 | Cationic aminoanthraquinones, use thereof for the dyeing of keratinous fibres, dyeing compositions containing them and dyeing processes | OREAL (FR) | 2002-04-17 | — | — | EP | claimed |
| US-6645259-B2 | Cationic direct hair dye | L'OREAL S.A. (FR) | 2003-11-11 | — | — | US | disclosed |
| US-20030073853-A1 | Cationic aminoanthraquinones, their use for dyeing keratinous fibers, dyeing compositions containing them and methods of dyeing | L'OREAL S.A. | 2003-04-17 | — | — | US | disclosed |
| US-6437149-B1 | AT LEAST ONE CATIONIC CHARGE IS DELOCALIZED ON A 5-MEMBERED UNSATURATED POLYNITROGEN RING; DIRECT HAIR DYES, SOLUBILITY, COLORFAST | L'OREAL S.A. (FR) | 2002-08-20 | — | — | US | disclosed |