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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT2B | Q92831 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8976381 | 0.99 | KAT2B (0.57) | KAT2BMAPTALDH1A1TDP1L3MBTL1 | |
| SCHEMBL17819083 | 0.84 | KAT2B (0.72) | KAT2BMAPTALDH1A1TDP1L3MBTL1 | |
| SCHEMBL8975837 | 0.83 | KAT2B (0.53) | KAT2BMAPTALDH1A1L3MBTL1HCAR3 | |
| Iodide SCHEMBL8613768 | 0.82 | KAT2B (0.52) | KAT2BMAPTALDH1A1L3MBTL1HCAR3 | |
| Iodide SCHEMBL8985633 | 0.80 | KAT2B (0.63) | KAT2BMAPTALDH1A1TDP1L3MBTL1 | |
| SCHEMBL3636228 | 0.79 | KAT2B (0.69) | KAT2BMAPTALDH1A1TDP1L3MBTL1 | |
| SCHEMBL981242 | 0.77 | KAT2B (0.64) | KAT2BMAPTALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL8976392 | 0.76 | KAT2B (0.58) | KAT2BMAPTALDH1A1TDP1L3MBTL1 | |
| Iodide SCHEMBL8985582 | 0.76 | KAT2B (0.57) | KAT2BMAPTALDH1A1HCAR3PKM | |
| Bromide SCHEMBL8619146 | 0.75 | KAT2B (0.57) | KAT2BMAPTALDH1A1TDP1L3MBTL1 |
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-5711765-A | TREATMENT OF HAIR AND DYES WUTH WATER VAPOR | L'OREAL (FR) | 1998-01-27 | — | — | US | disclosed |
| US-5486629-A | Direct dyes having a quaternary center with a long aliphatic chain | CLAIROL, INC. (US) | 1996-01-23 | — | — | US | disclosed |
| US-5360930-A | Hair dyes; shampoo stable; uniformity | CLAIROL INC. (US) | 1994-11-01 | — | — | US | disclosed |
| US-5314505-A | Hair dyes, direct dyes with improved affinity for hair | CLAIROL, INC. (US) | 1994-05-24 | — | — | US | disclosed |
| US-5298029-A | Hair dyes | CLAIROL INCORPORATED (US) | 1994-03-29 | — | — | US | disclosed |
| US-5169403-A | Washfast hair dyes | CLAIROL, INC. | 1992-12-08 | — | — | US | disclosed |