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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 SCHEMBL5375096 | 0.90 | FFAR3 (0.39) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL747487 | 0.88 | HDAC3 (0.40) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL398738 | 0.86 | FFAR3 (0.39) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL28013129 | 0.86 | FFAR3 (0.39) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL127512 | 0.84 | PAOX (0.35) | PAOXALDH1A1ALDH2KDM4ETET2 | |
| Bromide SCHEMBL4851394 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL1396566 | 0.82 | POLB (0.36) | PAOXALDH1A1ALDH2KDM4ETET2 | |
| SCHEMBL635274 | 0.82 | CA12 (0.37) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Trimethylammonium SCHEMBL154411 | 0.81 | HDAC3 (0.42) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Trimethylammonium SCHEMBL1424158 | 0.81 | HDAC3 (0.42) | FFAR3HDAC3HDAC1HDAC2HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7279339-B2 | Immobilized immunoglobulin/latex fusion specific to prostate-specific antigens for use as too in detection and treatment of cell proliferative disorders; tissue targeted therapy; immunotherapy | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2007-10-09 | — | — | US | disclosed |
| US-20060172351-A1 | Reagent for an immunoassay | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2006-08-03 | — | — | US | disclosed |
| US-20050069967-A1 | Reagent for an immunoassay | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2005-03-31 | — | — | US | disclosed |