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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2R | P25116 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 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 | |
|---|---|---|---|---|
| SCHEMBL6930955 | 0.99 | F2R (0.47) | F2RCYP1A2CYP2D6HTTPOLB | |
| Bromide SCHEMBL6932626 | 0.80 | HTT (0.50) | F2RCYP1A2CYP2D6HTTPOLB | |
| SCHEMBL13801518 | 0.78 | POLB (0.52) | F2RCYP1A2CYP2D6HTTPOLB | |
| SCHEMBL31250682 | 0.78 | CXCR4 (0.49) | POLBCXCR4TLR8MAOAALDH1A1 | |
| SCHEMBL22121456 | 0.75 | CYP1A2 (0.44) | F2RCYP1A2CYP2D6HTTPOLB | |
| SCHEMBL24845214 | 0.74 | BRD4 (0.48) | HTTPOLBCXCR4TLR8ADORA2A | |
| SCHEMBL30163813 | 0.74 | BRD4 (0.48) | HTTPOLBCXCR4TLR8ADORA2A | |
| SCHEMBL10148282 | 0.73 | GAA (0.52) | POLBKDM4EALDH1A1ADORA2AADORA1 | |
| SCHEMBL12634804 | 0.73 | LMNA (0.66) | POLB | |
| SCHEMBL989222 | 0.72 | HTT (0.67) | CYP1A2CYP2D6HTTPOLBCXCR4 |
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-6660870-B1 | Serotonergic compounds which possess agonist activity at 5-HT2 receptors effectively lower and control normal and elevated IOP and are useful for treating glaucoma | ALCON, INC. (CH) | 2003-12-09 | — | — | US | disclosed |
| WO-2001070705-A1 | 2-ACYLAMINOBENZIMIDAZOLE DERIVATIVES FOR TREATING GLAUCOMA | ALCON, INC. (CH) | 2001-09-27 | — | — | WO | disclosed |