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 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.40 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29908291 | 0.91 | HTT (0.47) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL1224857 | 0.91 | HTT (0.47) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| Hydrochloric Acid SCHEMBL9326061 | 0.89 | HTT (0.46) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| Bromide SCHEMBL7251134 | 0.87 | NPC1 (0.48) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL13334071 | 0.85 | HTT (0.45) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| Bromide SCHEMBL3307928 | 0.85 | HTT (0.42) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL8015063 | 0.85 | NPC1 (0.45) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| Iodide SCHEMBL3313514 | 0.84 | HTT (0.44) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL13334116 | 0.83 | HTT (0.43) | HTTSMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL2867113 | 0.83 | HTT (0.41) | HTTSMN1; SMN2NPC1RAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-7700780-B2 | Zwitterionic chromophores and macromolecules containing such chromophores | Wang, Zhi Yuan (CA) | 2010-04-20 | — | — | US | disclosed |
| US-20060199951-A1 | Zwitterionic chromophores and macromolecules containing such chromophores | WANG ZHI Y | 2006-09-07 | — | — | US | disclosed |