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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.46 |
| ▸ | F2R | P25116 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.43 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 2/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6933374 | 0.80 | F2R (0.47) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| SCHEMBL6930955 | 0.79 | F2R (0.47) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| SCHEMBL989222 | 0.76 | HTT (0.67) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| SCHEMBL990194 | 0.73 | HTT (0.67) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| Bromide SCHEMBL6933379 | 0.71 | HTT (0.46) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| SCHEMBL23319549 | 0.70 | HTT (0.62) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| SCHEMBL20641347 | 0.70 | HTT (0.62) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| SCHEMBL6930957 | 0.70 | HTT (0.47) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| SCHEMBL22844249 | 0.68 | HTT (0.45) | HTTCYP1A2CYP2D6POLBCXCR4 | |
| SCHEMBL1992429 | 0.68 | CYP1A2 (1.00) | HTTCYP1A2CYP2D6POLBCXCR4 |
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 |