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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 5/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4830410 | 0.97 | HSD11B1 (0.52) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL28340951 | 0.97 | HSD11B1 (0.52) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL6015474 | 0.92 | HSD11B1 (0.58) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL4022475 | 0.90 | HSD11B1 (0.61) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| Hydrochloric Acid SCHEMBL6016934 | 0.90 | HSD11B1 (0.56) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL30832718 | 0.87 | HSD11B1 (0.44) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL20958521 | 0.86 | HSD11B1 (0.42) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL20958523 | 0.86 | HSD11B1 (0.42) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 | |
| SCHEMBL30589050 | 0.84 | HSD11B1 (0.50) | HSD11B1L3MBTL3 | |
| SCHEMBL18498063 | 0.81 | CHRNB2 (0.39) | HSD11B1CHRNB2CHRNA3CHRNA4CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015123355-A1 | SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | EOLAS THERAPEUTICS, INC. (US) | 2015-08-20 | — | — | WO | disclosed |