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 | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 SCHEMBL8625096 | 0.89 | HCRTR1 (0.39) | HCRTR1HCRTR2BTKLMNACHEK2 | |
| Bromide SCHEMBL8625322 | 0.88 | HCRTR1 (0.43) | HCRTR1HCRTR2BTKRXFP1CHEK2 | |
| SCHEMBL8625987 | 0.86 | HCRTR1 (0.43) | HCRTR1HCRTR2BTKRXFP1CHEK2 | |
| Water SCHEMBL8628635 | 0.85 | HCRTR1 (0.43) | HCRTR1HCRTR2BTKRXFP1CHEK2 | |
| Hydrochloric Acid SCHEMBL8623264 | 0.85 | KDM4E (0.41) | HCRTR1HCRTR2LMNAMAPTTHRB | |
| SCHEMBL16613213 | 0.78 | BTK (0.56) | HCRTR1HCRTR2BTK | |
| Hydrochloric Acid SCHEMBL16597535 | 0.77 | BTK (0.55) | HCRTR1HCRTR2BTK | |
| SCHEMBL18017533 | 0.77 | HCRTR1 (0.42) | HCRTR1HCRTR2RAB9AKCNH2 | |
| Bromide SCHEMBL8554673 | 0.73 | CXCR1 (0.48) | MAPTPOLBKCNH2 | |
| Hydrochloric Acid SCHEMBL8593690 | 0.73 | CXCR1 (0.44) | MAPTRAB9ASMN1; SMN2POLBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5817677-A | ANTITHROMBOSIS AGENTS | DR. KARL THOMAE GMBH (DE) | 1998-10-06 | — | — | US | disclosed |