Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.42 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25422192 | 0.94 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1PLA2G10 | |
| SCHEMBL15982318 | 0.94 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1PLA2G10 | |
| SCHEMBL12004770 | 0.94 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1PLA2G10 | |
| SCHEMBL28519312 | 0.94 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1PLA2G10 | |
| SCHEMBL2811174 | 0.94 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1PLA2G10 | |
| Bromide SCHEMBL4516274 | 0.91 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1PLA2G10 | |
| SCHEMBL18840380 | 0.89 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1PLA2G10 | |
| SCHEMBL16749989 | 0.89 | HTT (0.46) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1PLA2G10 | |
| SCHEMBL15776693 | 0.87 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL25419509 | 0.87 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1999118-A2 | METAL COMPLEXES OF TETRAAZAMACROCYCLE DERIVATIVES | Mallinckrodt, Inc. (US) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007106546-A2 | METAL COMPLEXES OF TETRAAZAMACROCYCLE DERIVATIVES | MALLINCKRODT INC. (US) | 2007-09-20 | — | — | WO | disclosed |