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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | FPR2 | P25090 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 SCHEMBL22412638 | 0.94 | HTT (0.43) | HTTALDH1A1HSD17B10FPR2SMN1; SMN2 | |
| Bromide SCHEMBL22412705 | 0.83 | ATM (0.43) | ALDH1A1MAPTCYP3A4CYP2D6ATM | |
| Bromide SCHEMBL22412696 | 0.81 | ATM (0.59) | ALDH1A1CYP2C19MAPTCYP3A4CYP2D6 | |
| SCHEMBL22435855 | 0.73 | ATM (0.49) | HTTSMN1; SMN2NPC1CYP2C19MAPT | |
| SCHEMBL22412428 | 0.73 | MEN1 (0.50) | HTTALDH1A1SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL5392078 | 0.73 | ALDH1A1 (0.66) | HTTALDH1A1HSD17B10SMN1; SMN2L3MBTL1 | |
| SCHEMBL22407708 | 0.73 | KDM4E (0.70) | ALDH1A1HSD17B10SMN1; SMN2L3MBTL1NPC1 | |
| Bromide SCHEMBL10462008 | 0.71 | L3MBTL1 (0.84) | ALDH1A1SMN1; SMN2L3MBTL1KDM4EATM | |
| SCHEMBL1946258 | 0.70 | L3MBTL1 (0.86) | ALDH1A1SMN1; SMN2L3MBTL1KDM4EATM | |
| SCHEMBL28696978 | 0.69 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2L3MBTL1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3938345-A1 | CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE | Nocion Therapeutics, Inc. (US) | 2022-01-19 | — | — | EP | disclosed |
| WO-2020185830-A1 | CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE | Nocion Therapeutics, Inc. (US) | 2020-09-17 | — | — | WO | disclosed |