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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | EEF2K | O00418 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | GALR3 | O60755 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11425322 | 1.00 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL7065366 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL28238080 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| Bromide SCHEMBL28461115 | 0.92 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| Bromide SCHEMBL5143844 | 0.91 | CDC25A (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| Bromide SCHEMBL31186684 | 0.91 | CDC25A (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| Bromide SCHEMBL31186683 | 0.91 | CDC25A (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| Bromide SCHEMBL30967339 | 0.91 | CDC25A (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL18966405 | 0.90 | DRD3 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL21049557 | 0.89 | CDC25A (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-108360085-B | Polyphenylene sulfide antioxidant fiber based on layered nanoparticles and preparation method thereof | 安徽工程大学 | 2021-02-26 | — | — | CN | disclosed |