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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.37 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.37 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.37 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1454710 | 0.74 | LTA4H (0.44) | LTA4HKCNH2CNR1MLNRNR1I2 | |
| SCHEMBL9029307 | 0.73 | LTA4H (0.40) | LTA4HKCNH2CNR1MLNRNR1I2 | |
| SCHEMBL2185586 | 0.70 | NPC1 (0.41) | KCNH2CNR1MAPK1SMN1; SMN2CNR2 | |
| SCHEMBL2187826 | 0.70 | NPC1 (0.41) | KCNH2CNR1MAPK1SMN1; SMN2CNR2 | |
| SCHEMBL27565384 | 0.70 | TSHR (0.32) | ALDH1A1GGPS1FDPS | |
| SCHEMBL11660545 | 0.69 | PPARG (0.44) | LTA4HKCNH2CNR1MLNRNR1I2 | |
| SCHEMBL9616092 | 0.69 | L3MBTL1 (0.36) | LTA4HCHRM2CHRM1CHRM3LMNA | |
| SCHEMBL27525280 | 0.69 | LTA4H (0.40) | LTA4HKCNH2CNR1MLNRNR1I2 | |
| Toluene SCHEMBL6333845 | 0.69 | CNR2 (0.38) | KCNH2CNR1ALDH1A1LMNAHTT | |
| SCHEMBL1454452 | 0.68 | LTA4H (0.46) | LTA4HKCNH2CNR1MLNRNR1I2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4311794-A | Determination of bacterial growth activity and antibiotic sensitivity by catalase measurement | BAYLOR COLLEGE OF MEDICINE (US) | 1982-01-19 | — | — | US | disclosed |
| US-4043911-A | Sterilization of holding tanks and toilet bowls by quaternary compounds | BAYLOR COLLEGE OF MEDICINE (US) | 1977-08-23 | — | — | US | disclosed |
| US-3941696-A | Sterilization of holding tanks and toilet bowls by quaternary compounds | BAYLOR COLLEGE OF MEDICINE (US) | 1976-03-02 | — | — | US | disclosed |