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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.53 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9499678 | 0.99 | TSHR (0.54) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| SCHEMBL9501035 | 0.79 | ALOX15 (0.54) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| Bromide SCHEMBL9452245 | 0.78 | ALOX15 (0.53) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| Bromide SCHEMBL9452329 | 0.77 | ALOX15 (0.52) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| SCHEMBL9452300 | 0.77 | CYP1A2 (0.68) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| SCHEMBL9452191 | 0.76 | ALOX15 (0.54) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| SCHEMBL1618153 | 0.76 | HPGD (0.63) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| SCHEMBL29617387 | 0.76 | HPGD (0.63) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| SCHEMBL9452484 | 0.76 | ALOX15 (0.53) | TSHRMEN1GRIN2DGRIN3BCYP1A2 | |
| Bromide SCHEMBL9452238 | 0.73 | TSHR (0.53) | TSHRMEN1GRIN2DGRIN3BCYP1A2 |
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-5270309-A | Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-14 | — | — | US | disclosed |
| EP-0303387-B1 | KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS | MERCK SHARP & DOHME LTD. (GB) | 1993-04-21 | — | — | EP | disclosed |
| EP-0303387-A1 | Kynurenic acid derivatives useful in the treatment of neurodegenerative disorders | MERCK SHARP & DOHME LTD. (GB) | 1989-02-15 | — | — | EP | disclosed |