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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL56690 | 0.98 | TRPA1 (0.42) | TRPA1MAOBNOS3NOS2NISCH | |
| Hydrogen Sulfide SCHEMBL27726723 | 0.95 | TRPA1 (0.41) | TRPA1MAOBNOS3NOS2NISCH | |
| Hydrochloric Acid SCHEMBL11654712 | 0.95 | TRPA1 (0.41) | TRPA1MAOBNOS3NOS2NISCH | |
| SCHEMBL4997779 | 0.95 | TRPA1 (0.41) | TRPA1MAOBNOS3NOS2NISCH | |
| Methane SCHEMBL29133449 | 0.95 | TRPA1 (0.41) | TRPA1MAOBNOS3NOS2NISCH | |
| Charcoal, Activated SCHEMBL30695269 | 0.95 | TRPA1 (0.41) | TRPA1MAOBNOS3NOS2NISCH | |
| Ammonia Solution, Strong SCHEMBL7979304 | 0.95 | TRPA1 (0.41) | TRPA1MAOBNOS3NOS2NISCH | |
| Iodide SCHEMBL11466143 | 0.95 | TRPA1 (0.41) | TRPA1MAOBNOS3NOS2NISCH | |
| Hydrochloric Acid SCHEMBL7976748 | 0.93 | TRPA1 (0.39) | TRPA1MAOBNOS3NOS2NISCH | |
| SCHEMBL1373749 | 0.90 | TRPA1 (0.37) | TRPA1MAOBNOS3NOS2NISCH |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3394034-A1 | USE OF DIHYDROISOQUINOLINIUM SALTS FOR TREATING KERATIN MATERIALS, COMPOSITIONS AND IMPLEMENTATION PROCESSES | L'Oréal (FR) | 2018-10-31 | — | — | EP | claimed |
| WO-2017109183-A1 | USE OF DIHYDROISOQUINOLINIUM SALTS FOR TREATING KERATIN MATERIALS, COMPOSITIONS AND IMPLEMENTATION PROCESSES | L'OREAL (FR) | 2017-06-29 | — | — | WO | claimed |
| US-6271264-B1 | REMOVING BILE ACIDS FROM PATIENTS | GELTEX PHARMACEUTICALS, INC. | 2001-08-07 | — | — | US | disclosed |
| WO-2000032656-A2 | POLYMERS CONTAINING SPIROBICYCLIC AMMONIUM MOIETIES AND USE THEREOF | GELTEX PHARMACEUTICALS, INC. (US) | 2000-06-08 | — | — | WO | disclosed |
| EP-0617022-B1 | 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound | BANYU PHARMA CO LTD (JP) | 1998-02-11 | — | — | EP | disclosed |
| EP-0617022-A1 | 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1994-09-28 | — | — | EP | disclosed |