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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 SCHEMBL5125778 | 0.96 | RAB9A (0.34) | RAB9AL3MBTL1CYP1A2SIGMAR1PTGDR2 | |
| Bromide SCHEMBL5133338 | 0.89 | RAB9A (0.34) | RAB9AL3MBTL1CYP1A2SIGMAR1HTR4 | |
| SCHEMBL16656257 | 0.88 | RAB9A (0.36) | RAB9AL3MBTL1CYP1A2SIGMAR1HTR4 | |
| Bromide SCHEMBL5125776 | 0.86 | L3MBTL1 (0.34) | RAB9AL3MBTL1CYP1A2HTR4LMNA | |
| Bromide SCHEMBL5132382 | 0.86 | CYP1A2 (0.47) | CYP1A2MAPK1SMN1; SMN2SIGMAR1 | |
| Bromide SCHEMBL5126215 | 0.83 | PLA2G10 (0.34) | SMN1; SMN2SIGMAR1TSHRKDM4E | |
| Bromide SCHEMBL5133205 | 0.82 | CYP1A2 (0.42) | CYP1A2MAPK1SMN1; SMN2SIGMAR1 | |
| SCHEMBL18748496 | 0.80 | LMNA (0.35) | SMN1; SMN2SIGMAR1LMNAPOLBTSHR | |
| SCHEMBL20678139 | 0.80 | HSD17B10 (0.36) | SMN1; SMN2SIGMAR1TSHRKDM4E | |
| SCHEMBL17119745 | 0.80 | HSD17B10 (0.36) | SMN1; SMN2SIGMAR1TSHRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008134289-A2 | HIGH RELAXIVITY COORDINATIVELY UNSATURATED LANTHANIDE COMPLEXES | MALLINCKRODT INC. (US) | 2008-11-06 | — | — | WO | disclosed |