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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 3/20 | 0.37 |
| ▸ | KDM1A | O60341 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7887852 | 0.98 | MTNR1A (0.44) | MTNR1AMTNR1BHTR2ACYP3A4TSHR | |
| SCHEMBL29516700 | 0.98 | MTNR1A (0.44) | MTNR1AMTNR1BHTR2ACYP3A4TSHR | |
| SCHEMBL2240222 | 0.98 | MTNR1A (0.44) | MTNR1AMTNR1BHTR2ACYP3A4TSHR | |
| SCHEMBL2244164 | 0.98 | MTNR1A (0.44) | MTNR1AMTNR1BHTR2ACYP3A4TSHR | |
| SCHEMBL29516800 | 0.98 | MTNR1A (0.44) | MTNR1AMTNR1BHTR2ACYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL10785087 | 0.96 | MTNR1A (0.43) | MTNR1AMTNR1BHTR2ACYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL2242431 | 0.96 | MTNR1A (0.43) | MTNR1AMTNR1BHTR2ACYP3A4TSHR | |
| Acetic Acid SCHEMBL9983815 | 0.86 | MTNR1A (0.54) | MTNR1AMTNR1B | |
| Acetic Acid SCHEMBL9983822 | 0.86 | MTNR1A (0.54) | MTNR1AMTNR1B | |
| SCHEMBL7883609 | 0.78 | ADRA2A (0.49) | MTNR1AMTNR1BCYP3A4TSHRANPEP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5847006-A | Therapeutic guanidines | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0746316-A4 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE INC (US) | 1997-12-10 | — | — | EP | disclosed |
| EP-0746316-A1 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995014467-A1 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1995-06-01 | — | — | WO | disclosed |