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 | 2/20 | 0.48 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.48 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.48 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.48 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.48 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.48 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.45 |
| ▸ | RAD52 | P43351 | 3/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
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 SCHEMBL28419938 | 1.00 | RAD52 (0.48) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL28065828 | 0.98 | RAD52 (0.45) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL27656267 | 0.98 | CHRM2 (0.47) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL2563316 | 0.98 | CHRM2 (0.47) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL1168955 | 0.98 | CHRM2 (0.47) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL28410655 | 0.96 | KMT2A (0.48) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Bromide SCHEMBL28779518 | 0.96 | CHRM2 (0.45) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL3028805 | 0.96 | KMT2A (0.48) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL3841369 | 0.96 | KMT2A (0.48) | RAD52HSP90AA1CHRM2ADRA2AADORA3 | |
| SCHEMBL27656272 | 0.96 | CHRM2 (0.43) | RAD52HSP90AA1CHRM2ADRA2AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106744851-A | The method that the two-dimentional nitrogen-doped graphene of high nitrogen-containing is prepared with polybenzimidazoles | 山东理工大学 | 2017-05-31 | — | — | CN | disclosed |