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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.53 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.47 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.47 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12648453 | 0.98 | GRM5 (0.54) | GRM5GRM2KDM4EMEN1ALDH1A1 | |
| SCHEMBL1688782 | 0.77 | GRM5 (0.50) | GRM5GRM2KDM4EMEN1ALDH1A1 | |
| Quisqualate SCHEMBL136819 | 0.64 | CYP1A2 (1.00) | GRM5GRM2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8545723 | 0.63 | FFAR1 (0.41) | GRM5GRM2KDM4EMEN1ALDH1A1 | |
| SCHEMBL5198850 | 0.59 | APEX1 (0.54) | CYP3A4KMT2A | |
| SCHEMBL5199211 | 0.59 | APEX1 (0.34) | KMT2A | |
| SCHEMBL29251530 | 0.58 | APEX1 (0.42) | ALDH1A1CYP1A2CYP3A4KMT2A | |
| SCHEMBL7834416 | 0.57 | GRM5 (0.42) | GRM5GRM2KDM4EMEN1ALDH1A1 | |
| SCHEMBL1708843 | 0.55 | GRM5 (0.32) | GRM5GRM2KDM4EMEN1ALDH1A1 | |
| SCHEMBL10991555 | 0.55 | CSNK2A2 (0.39) | GRM5GRM2MEN1ALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0496561-B1 | [[(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives | AMERICAN HOME PROD (US) | 1995-03-15 | — | — | EP | disclosed |
| US-5240946-A | Anticonvulsants, nervous system disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-08-31 | — | — | US | disclosed |
| US-5168103-A | Neuroprotectants, anticonvulsants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-12-01 | — | — | US | disclosed |
| EP-0496561-A2 | [[(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-07-29 | — | — | EP | disclosed |