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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 6/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6849791 | 0.83 | CA2 (0.59) | CA2GABRA1GABRB2ALDH1A1KDM4E | |
| Bromide SCHEMBL6851251 | 0.82 | ALDH1A1 (0.48) | CA2ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL6851744 | 0.81 | CA2 (0.61) | CA2GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL30638079 | 0.81 | CA2 (0.61) | CA2GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL39311 | 0.81 | CA2 (0.61) | CA2GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL17500168 | 0.81 | CA2 (0.61) | CA2GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL1002129 | 0.80 | ALDH1A1 (0.50) | CA2ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL27645716 | 0.80 | CA2 (0.55) | CA2GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL8351072 | 0.79 | CA2 (0.43) | CA2GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL7348566 | 0.79 | CA2 (0.43) | CA2GABRA1GABRB2ALDH1A1KDM4E |
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-1394152-A1 | 2-IMINOIMIDAZOLE DERIVATIVES (1) | Eisai Co., Ltd. (JP) | 2004-03-03 | — | — | EP | disclosed |