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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.53 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 5/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 9/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11199688 | 0.98 | ADRA2A (0.54) | ADRA2AADRA2BHTR2AHSD17B1HSD17B2 | |
| SCHEMBL10354111 | 0.81 | HSD17B1 (0.47) | HSD17B1HSD17B2CYP3A4CYP2C9HTR2C | |
| Hydrochloric Acid SCHEMBL11019773 | 0.79 | PIK3CD (0.46) | HSD17B1HSD17B2CYP3A4CYP2C9HTR2C | |
| Bromide SCHEMBL11196323 | 0.78 | ADRA2A (0.58) | ADRA2AADRA2BHTR2AHTR2CHTR2B | |
| SCHEMBL14904833 | 0.78 | ADRA2A (0.54) | ADRA2AADRA2BHTR2AHTR2CHTR2B | |
| SCHEMBL9311684 | 0.78 | ADRA2A (0.54) | ADRA2AADRA2BHTR2AHTR2CHTR2B | |
| SCHEMBL13490468 | 0.78 | ADRA2A (0.54) | ADRA2AADRA2BHTR2AHTR2CHTR2B | |
| SCHEMBL8959992 | 0.78 | HTR2C (0.57) | ADRA2AADRA2BHTR2ACYP3A4CYP2C9 | |
| SCHEMBL8960049 | 0.77 | ADRA2A (0.61) | ADRA2AADRA2BHTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL9310385 | 0.77 | ADRA2A (0.53) | ADRA2AADRA2BHTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| US-4382942-A | ANTIEMETICS, PARKINSON*S DISEASE | ROUSSEL UCLAF (FR) | 1983-05-10 | — | — | US | disclosed |