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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 8/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 7/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRND | Q07001 | 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 | |
|---|---|---|---|---|
| SCHEMBL1334863 | 0.98 | HTR2A (0.44) | HTR2ASLC6A2SLC6A3CHRNB2CHRNB4 | |
| SCHEMBL1279905 | 0.88 | HTR2A (0.42) | HTR2ASLC6A2SLC6A3CHRNB2CHRNB4 | |
| SCHEMBL1279335 | 0.82 | OPRM1 (0.50) | HTR2ASLC6A2SLC6A3CHRNB2CHRNB4 | |
| SCHEMBL1332923 | 0.82 | SLC6A2 (0.41) | SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL323576 | 0.81 | MMP2 (0.36) | SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2249850 | 0.81 | SLC6A2 (0.42) | SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL14932316 | 0.81 | SLC6A2 (0.42) | HTR2ASLC6A2SLC6A3CHRNB2CHRNB4 | |
| SCHEMBL9086991 | 0.81 | TAAR1 (0.35) | SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3160081 | 0.80 | SLC6A2 (0.47) | HTR2ASLC6A2SLC6A3CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL28135009 | 0.79 | SLC6A2 (0.41) | SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1744754-A1 | MORPHOLINE COMPOUNDS | Pfizer Limited (GB) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005105100-A1 | MORPHOLINE COMPOUNDS | PFIZER LIMITED (GB) | 2005-11-10 | — | — | WO | disclosed |