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 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | FABP7 | O15540 | 1/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
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 SCHEMBL12481189 | 0.72 | ALDH1A1 (0.58) | SMN1; SMN2LMNAALDH1A1MAPK1L3MBTL1 | |
| Bromide SCHEMBL27945712 | 0.72 | ALDH1A1 (0.58) | SMN1; SMN2LMNAALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL13967327 | 0.70 | ALDH1A1 (0.59) | SMN1; SMN2LMNAALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL334732 | 0.65 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1MAPK1L3MBTL1KMT2A | |
| SCHEMBL22932479 | 0.64 | KMT2A (0.51) | SMN1; SMN2ALDH1A1MAPK1L3MBTL1KMT2A | |
| SCHEMBL12080377 | 0.64 | KMT2A (0.51) | SMN1; SMN2ALDH1A1MAPK1L3MBTL1KMT2A | |
| SCHEMBL24987943 | 0.64 | ALDH1A1 (0.47) | SMN1; SMN2LMNAALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL335391 | 0.64 | MGLL (0.53) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL27312116 | 0.63 | MGLL (0.49) | ALDH1A1MAPK1L3MBTL1CYP1A2 | |
| SCHEMBL8258134 | 0.63 | ALDH1A1 (0.68) | SMN1; SMN2LMNAALDH1A1MAPK1L3MBTL1 |
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-5631264-A | NEUROLOGICAL DISORDERS | SANOFI WINTHROP, INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5554620-A | Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof | STERLING WINTHROP INC. (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0656359-A1 | Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof | STERLING WINTHROP INC. (US) | 1995-06-07 | — | — | EP | disclosed |