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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | CA1 | P00915 | 8/20 | 0.47 |
| ▸ | CA12 | O43570 | 7/20 | 0.47 |
| ▸ | CA9 | Q16790 | 6/20 | 0.47 |
| ▸ | STK17B | O94768 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16725572 | 0.95 | MAOA (0.71) | MAOAMAOBTDP1MEN1GAA | |
| Hydrochloric Acid SCHEMBL8796352 | 0.89 | MAOA (0.63) | MAOAMAOBTDP1MEN1GAA | |
| SCHEMBL7530750 | 0.88 | MAOA (0.57) | MAOAMAOBTDP1MEN1GAA | |
| SCHEMBL27891959 | 0.87 | MAOA (0.69) | MAOAMAOBTDP1MEN1GAA | |
| SCHEMBL2459761 | 0.86 | MAOA (0.60) | MAOAMAOBTDP1MEN1GAA | |
| SCHEMBL1557057 | 0.86 | TDP1 (0.67) | MAOAMAOBTDP1MEN1GAA | |
| SCHEMBL8632506 | 0.85 | MAOA (0.67) | MAOAMAOBTDP1MEN1GAA | |
| SCHEMBL1298855 | 0.84 | TDP1 (0.70) | MAOAMAOBTDP1MEN1GAA | |
| SCHEMBL18347560 | 0.84 | TDP1 (0.70) | MAOAMAOBTDP1MEN1GAA | |
| SCHEMBL569251 | 0.84 | TDP1 (0.74) | MAOAMAOBTDP1MEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023161316-A1 | ZWITTERIONIC ANTIBACTERIAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-31 | — | — | WO | disclosed |