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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | FPR3 | P25089 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL65886 | 0.98 | SMN1; SMN2 (0.61) | SMN1; SMN2ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL65134 | 0.96 | SMN1; SMN2 (0.59) | SMN1; SMN2ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL10409891 | 0.96 | SMN1; SMN2 (0.59) | SMN1; SMN2ALDH1A1MAPTPOLBTSHR | |
| Hydrochloric Acid SCHEMBL9409653 | 0.94 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL5483874 | 0.94 | SMN1; SMN2 (0.61) | SMN1; SMN2ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL1174392 | 0.89 | — | — | |
| SCHEMBL4489670 | 0.89 | SMN1; SMN2 (0.65) | SMN1; SMN2ALDH1A1MAPTTSHRL3MBTL1 | |
| SCHEMBL1856574 | 0.86 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL1725970 | 0.85 | SMN1; SMN2 (0.61) | SMN1; SMN2ALDH1A1MAPTTSHRL3MBTL1 | |
| SCHEMBL12014428 | 0.85 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1MAPTPOLBTSHR |
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-1957451-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | Bodor, Nicholas S. (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1948596-A2 | SOFT ANTICHOLINERGIC ESTERS | Bodor, Nicholas S. (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007058971-A2 | SOFT ANTICHOLINERGIC ESTERS | BODOR NICHOLAS S (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007059021-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | BODOR NICHOLAS S (US) | 2007-05-24 | — | — | WO | disclosed |