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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.50 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.50 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 6/20 | 0.66 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.66 |
| ▸ | HTR6 | P50406 | 8/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL10706910 | 0.98 | ESR1 (0.68) | ESR1ESR2HTR6ADRA2AADRA2B | |
| SCHEMBL5712647 | 0.88 | ESR1 (0.66) | ESR1ESR2HTR6ADRA2AADRA2B | |
| SCHEMBL10175566 | 0.87 | ESR1 (0.66) | ESR1ESR2HTR6SIGMAR1 | |
| SCHEMBL15839909 | 0.82 | HTR6 (0.55) | ESR1ESR2HTR6ADRA2AADRA2B | |
| SCHEMBL16526986 | 0.82 | ESR1 (0.68) | ESR1ESR2HTR6SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9520304 | 0.81 | HTR6 (0.53) | ESR1ESR2HTR6ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL30299309 | 0.81 | HTR6 (0.53) | ESR1ESR2HTR6ADRA2AADRA2B | |
| SCHEMBL3972604 | 0.80 | HTR6 (0.56) | ESR1ESR2HTR6ADRA2AADRA2B | |
| SCHEMBL1698159 | 0.80 | HTR6 (0.56) | ESR1ESR2HTR6ADRA2AADRA2B | |
| SCHEMBL1415344 | 0.80 | HTR6 (0.56) | ESR1ESR2HTR6ADRA2AADRA2B |
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-5130339-A | Intestine and uterine motility modulators for reduction of intraocular pressure for glaucoma treatment | SANOFI (FR) | 1992-07-14 | — | — | US | disclosed |