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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | PRCP | P42785 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL289302 | 0.79 | AKR1C3 (0.50) | GAAMAPTPRCPNPY5RFAAH | |
| SCHEMBL29443025 | 0.79 | AKR1C3 (0.50) | GAAMAPTPRCPNPY5RFAAH | |
| Hydrochloric Acid SCHEMBL1371854 | 0.77 | AKR1C3 (0.48) | GAAMAPTNPSR1FAAHMCL1 | |
| SCHEMBL7352952 | 0.77 | AKR1C3 (0.48) | GAAMAPTPRCPNPY5RFAAH | |
| SCHEMBL7352959 | 0.77 | AKR1C3 (0.48) | GAAMAPTPRCPNPY5RFAAH | |
| SCHEMBL8901298 | 0.74 | GAA (0.47) | GAAMAPTNPSR1TAAR1FAAH | |
| SCHEMBL30288898 | 0.74 | GAA (0.54) | MEN1KMT2AGAAMAPTFAAH | |
| SCHEMBL924219 | 0.74 | GAA (0.54) | MEN1KMT2AGAAMAPTFAAH | |
| SCHEMBL29463686 | 0.74 | GAA (0.54) | MEN1KMT2AGAAMAPTFAAH | |
| SCHEMBL28038780 | 0.74 | GAA (0.54) | MEN1KMT2AGAAMAPTFAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-3858439-A1 | AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2021-08-04 | — | — | EP | disclosed |