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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1835622 | 0.95 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL10456909 | 0.90 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL1840409 | 0.87 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL14467009 | 0.87 | MCHR1 (0.38) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL1837899 | 0.86 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL30707397 | 0.84 | ALDH1A1 (0.47) | CYP1A2CYP2C19CYP3A4TDP1ATM | |
| SCHEMBL9181053 | 0.84 | ALDH1A1 (0.47) | CYP1A2CYP2C19CYP3A4TDP1ATM | |
| SCHEMBL19829788 | 0.81 | KCNH2 (0.38) | CYP3A4TDP1NPC1RAB9AMAPT | |
| SCHEMBL19326854 | 0.81 | KCNH2 (0.38) | CYP3A4TDP1NPC1RAB9AMAPT | |
| SCHEMBL1833246 | 0.80 | ALDH1A1 (0.47) | CYP1A2CYP2C19CYP3A4TDP1ATM |
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-116159135-A | Cell penetrating riboflavin complex and application thereof in preparation of photodynamic therapy medicine | 深圳先进技术研究院 | 2023-05-26 | — | — | CN | disclosed |