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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.53 |
| ▸ | FABP1 | P07148 | 1/20 | 0.52 |
| ▸ | FABP6 | P51161 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9641222 | 0.98 | CXCR4 (0.55) | CXCR4FABP1FABP6CYP2C19CYP1A2 | |
| SCHEMBL19892745 | 0.79 | CYP1A2 (0.56) | CXCR4FABP1FABP6CYP2C19CYP1A2 | |
| SCHEMBL29378610 | 0.79 | CYP1A2 (0.56) | CXCR4FABP1FABP6CYP2C19CYP1A2 | |
| SCHEMBL18047238 | 0.78 | CXCR4 (0.55) | CXCR4FABP1FABP6CYP2C19CYP1A2 | |
| SCHEMBL6039786 | 0.78 | CXCR4 (0.55) | CXCR4FABP1FABP6CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL21457784 | 0.78 | CYP1A2 (0.54) | CXCR4FABP1FABP6CYP2C19CYP1A2 | |
| SCHEMBL29394898 | 0.75 | — | — | |
| SCHEMBL306278 | 0.75 | — | — | |
| SCHEMBL21457780 | 0.75 | CYP2D6 (0.51) | CXCR4FABP1FABP6CYP2C19CYP1A2 | |
| SCHEMBL17700145 | 0.75 | CXCR4 (0.47) | CXCR4FABP1FABP6CYP2C19CYP1A2 |
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-1155010-A1 | ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S | AstraZeneca AB (SE) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000049007-A1 | ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S | ASTRAZENECA AB (SE) | 2000-08-24 | — | — | WO | disclosed |