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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GUSB | P08236 | 2/20 | 0.41 |
| ▸ | EBP | Q15125 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | GALR3 | O60755 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
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 SCHEMBL29074580 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL28896152 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL28896157 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL28896417 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL29074589 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL28654502 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL28896687 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL29074582 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL29074588 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB | |
| Bromide SCHEMBL29074583 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19GUSB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115400799-A | Fuel additive, preparation method thereof and hydrocarbon fuel nanofluid | 天津大学 | 2022-11-29 | — | — | CN | claimed |
| WO-2024225048-A1 | METHOD FOR PRODUCING SURFACE-TREATED SUBSTRATE, METHOD FOR SELECTIVELY MODIFYING SUBSTRATE SURFACE, COMPOSITION, AND COMPOUND | JSR株式会社 | 2024-10-31 | — | — | WO | disclosed |
| CN-115400799-B | Fuel additive, preparation method thereof and hydrocarbon fuel nanofluid | 天津大学 | 2023-08-01 | — | — | CN | disclosed |
| CN-115400799-A | Fuel additive, preparation method thereof and hydrocarbon fuel nanofluid | 天津大学 | 2022-11-29 | — | — | CN | disclosed |