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 | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 6/20 | 0.56 |
| ▸ | NOS3 | P29474 | 4/20 | 0.56 |
| ▸ | NOS2 | P35228 | 4/20 | 0.56 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HRH2 | P25021 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 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 SCHEMBL8582620 | 0.78 | HRH4 (0.77) | NOS1NOS3NOS2HRH4CYP1A2 | |
| Bromide SCHEMBL4732426 | 0.75 | — | — | |
| SCHEMBL9193111 | 0.73 | CYP1A2 (0.71) | NOS1NOS3NOS2HRH4CYP1A2 | |
| Bromide SCHEMBL4727960 | 0.73 | NOS1 (0.82) | NOS1NOS3NOS2HRH4CYP1A2 | |
| Bromide SCHEMBL17747992 | 0.72 | HRH4 (1.00) | NOS1NOS3NOS2HRH4CYP1A2 | |
| SCHEMBL6562227 | 0.72 | — | — | |
| Bromide SCHEMBL4434174 | 0.72 | CYP1A2 (0.95) | NOS1NOS3NOS2HRH4CYP1A2 | |
| Bromide SCHEMBL4732328 | 0.71 | NOS1 (0.78) | NOS1NOS3NOS2HRH4CYP1A2 | |
| Bromide SCHEMBL9841020 | 0.71 | NOS1 (0.78) | NOS1NOS3NOS2HRH4CYP1A2 | |
| Bromide SCHEMBL4785272 | 0.71 | NOS1 (0.78) | NOS1NOS3NOS2HRH4CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711275-B1 | (THIO)CARBIMIDINIC ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME | BOEHRINGER MANNHEIM GMBH (DE) | 1998-04-15 | — | — | EP | disclosed |
| EP-0711275-A1 | (THIO)CARBIMIDINIC ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME | Roche Diagnostics GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004034-A1 | (THIO)CARBIMIDINIC ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME | BOEHRINGER MANNHEIM GMBH (DE) | 1995-02-09 | — | — | WO | disclosed |