Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 SCHEMBL4939891 | 0.83 | KDM4E (0.49) | RAB9ANPC1KDM4EGLAALDH1A1 | |
| SCHEMBL7596461 | 0.81 | KDM4E (0.50) | RAB9ANPC1KDM4EGLAALDH1A1 | |
| SCHEMBL28409129 | 0.79 | KDM4E (0.49) | RAB9ANPC1KDM4EGLAALDH1A1 | |
| SCHEMBL7591773 | 0.79 | KDM4E (0.45) | RAB9ANPC1KDM4EGLAALDH1A1 | |
| SCHEMBL874455 | 0.78 | ADAMTS5 (0.54) | RAB9ANPC1ADAMTS5ALDH1A1MAPT | |
| Bromide SCHEMBL4942645 | 0.77 | KDM4E (0.43) | RAB9ANPC1KDM4EGLAALDH1A1 | |
| SCHEMBL11705928 | 0.76 | TDP1 (0.50) | RAB9ANPC1ADAMTS5MAPTSMN1; SMN2 | |
| SCHEMBL2711084 | 0.76 | NPC1 (0.58) | RAB9ANPC1KDM4EALDH1A1MAPT | |
| Bromide SCHEMBL28190254 | 0.75 | RAB9A (0.50) | RAB9ANPC1KDM4EGLAALDH1A1 | |
| SCHEMBL2711948 | 0.75 | NPC1 (0.48) | RAB9ANPC1ADAMTS5KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001062247-A1 | TOPICAL COMPOSITIONS CONTAINING THIAZOLIUM COMPOUNDS AND METHODS OF USING SAME | AVON PRODUCTS, INC. (US) | 2001-08-30 | — | — | WO | claimed |
| WO-2001062247-A1 | TOPICAL COMPOSITIONS CONTAINING THIAZOLIUM COMPOUNDS AND METHODS OF USING SAME | AVON PRODUCTS, INC. (US) | 2001-08-30 | — | — | WO | disclosed |