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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8107664 | 0.77 | SLC6A2 (0.39) | CYP11B2 | |
| Bromide SCHEMBL8106535 | 0.73 | SLC6A2 (0.42) | HRH3BACE1EGLN1IRAK4 | |
| Bromide SCHEMBL8106532 | 0.73 | SLC6A2 (0.42) | HRH3BACE1EGLN1IRAK4 | |
| SCHEMBL1177800 | 0.67 | ROCK2 (0.42) | — | |
| SCHEMBL1177802 | 0.67 | ROCK2 (0.42) | — | |
| SCHEMBL8106540 | 0.65 | SLC6A4 (0.54) | — | |
| Cyclohexane SCHEMBL22288135 | 0.64 | TDP1 (0.44) | TLR7CYP11B2 | |
| SCHEMBL11665783 | 0.64 | TDP1 (0.44) | TLR7CYP11B2 | |
| SCHEMBL22288202 | 0.63 | CYP11B2 (0.51) | HRH3BACE1ABL1CYP11B2 | |
| SCHEMBL21845742 | 0.63 | PDK2 (0.38) | CHRNB2CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6107307-A | PSYCHOLOGICAL DISORDERS | ELI LILLY AND COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| EP-0969005-A1 | Azabicyclic inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1999065492-A1 | INHIBITION OF SEROTONIN REUPTAKE | ELI LILLY AND COMPANY (US) | 1999-12-23 | — | — | WO | disclosed |