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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL10790182 | 0.82 | CYP3A4 (0.60) | TDP1CYP3A4HTR2AHRH1SIGMAR1 | |
| Bromide SCHEMBL4353499 | 0.81 | CYP3A4 (0.44) | TDP1CYP3A4HTR2AHRH1SIGMAR1 | |
| SCHEMBL28263824 | 0.80 | CYP3A4 (0.63) | TDP1CYP3A4HTR2AHRH1TAAR1 | |
| SCHEMBL9549618 | 0.79 | CYP3A4 (0.46) | TDP1CYP3A4HTR2AHRH1SIGMAR1 | |
| SCHEMBL6455349 | 0.79 | CYP3A4 (0.46) | TDP1CYP3A4HTR2AHRH1SIGMAR1 | |
| Bromide SCHEMBL9750017 | 0.79 | SIGMAR1 (0.58) | TDP1CYP3A4SIGMAR1TAAR1 | |
| SCHEMBL9549821 | 0.78 | SIGMAR1 (0.47) | TDP1CYP3A4HTR2AHRH1SIGMAR1 | |
| SCHEMBL9549513 | 0.78 | SIGMAR1 (0.47) | TDP1CYP3A4HTR2AHRH1SIGMAR1 | |
| Butylamine SCHEMBL28096832 | 0.76 | CYP3A4 (0.52) | TDP1CYP3A4HTR2AHRH1ESR1 | |
| Phenethylamine SCHEMBL29276774 | 0.76 | SIGMAR1 (0.63) | HTR2ASIGMAR1TAAR1CARM1PRMT6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009081417-A2 | PROCESS FOR PREPARATION OF OLOPAT ADINE HYDROCHLORIDE | INDOCO REMEDIES LIMITED (IN) | 2009-07-02 | — | — | WO | disclosed |