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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 15/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 15/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SCN4A | P35499 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9780380 | 0.88 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| Bromide SCHEMBL9422839 | 0.81 | KCNQ3 (0.43) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| Bromide SCHEMBL9757686 | 0.81 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| Hydrochloric Acid SCHEMBL9780209 | 0.81 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| Bromide SCHEMBL9757460 | 0.80 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| SCHEMBL8793858 | 0.80 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| SCHEMBL9422899 | 0.80 | KCNQ3 (0.43) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| SCHEMBL9780233 | 0.80 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| Bromide SCHEMBL9780489 | 0.79 | KCNQ3 (0.42) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 | |
| SCHEMBL8651427 | 0.79 | KCNQ3 (0.43) | SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5026717-A | Glutamate inhibitors | RHONE-POULENC SANTE (FR) | 1991-06-25 | — | — | US | disclosed |
| US-4980356-A | ANTICONVULSANTS; ANTISPASMODIC AGENTS; MUSCULAR AND NERVOUS SYSTEMS DISORDERS | RHONE-POULENC SANTE (FR) | 1990-12-25 | — | — | US | disclosed |