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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27778406 | 0.97 | CYP1A2 (0.35) | CYP1A2CYP2C19CYP2C9LTA4HCNR1 | |
| Bromide SCHEMBL27778412 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP2C9LTA4HCYP2D6 | |
| Bromide SCHEMBL27778411 | 0.79 | NR1I2 (0.48) | CYP1A2CYP2C19CYP2C9LTA4HCNR1 | |
| Hydrochloric Acid SCHEMBL27778405 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP2C9LTA4HCYP2D6 | |
| Hydrochloric Acid SCHEMBL27757423 | 0.75 | NR1I2 (0.48) | CYP1A2CYP2C19CYP2C9LTA4HCNR1 | |
| SCHEMBL7850271 | 0.74 | KCNH2 (0.36) | ALDH1A1 | |
| Bromide SCHEMBL1092137 | 0.73 | KCNH2 (0.33) | — | |
| Bromide SCHEMBL11154629 | 0.72 | CA1 (0.44) | HTR1AALDH1A1 | |
| SCHEMBL4459765 | 0.71 | KCNH2 (0.34) | — | |
| SCHEMBL17920260 | 0.70 | THRA (0.44) | CYP1A2CYP2C19CYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101528673-B | Method for producing asymmetric copper complex crystal | SUMITOMO CO LTD | 2012-08-01 | — | — | CN | disclosed |
| CN-101528673-A | Method for producing asymmetric copper complex crystal | SUMITOMO CHEMICAL CO (JP) | 2009-09-09 | — | — | CN | disclosed |