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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14731557 | 0.98 | CYP1A2 (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL187295 | 0.85 | CYP1A2 (0.47) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL21387 | 0.84 | CYP4F2 (0.47) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL21830 | 0.83 | CYP1A2 (0.44) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL27966367 | 0.81 | CYP1A2 (0.42) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL14731592 | 0.80 | CYP1A2 (0.39) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL16258586 | 0.78 | CYP1A2 (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL11633678 | 0.77 | CYP1A2 (0.40) | CYP1A2GAAMGAMSIMGAM2 | |
| Bromide SCHEMBL16010201 | 0.77 | ATM (0.37) | CYP1A2GAAMGAMSIMGAM2 | |
| Bromide SCHEMBL10876343 | 0.76 | CYP1A2 (0.55) | CYP1A2GAAMGAMSIMGAM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103889999-B | Ion labeling for oligoribonucleotide synthesis | 皇家学习促进学会/麦吉尔大学 | 2021-06-01 | — | — | CN | disclosed |
| EP-2748176-A1 | IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES | The Royal Institution for the Advancement of Learning / McGill University (CA) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013026142-A1 | IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2013-02-28 | — | — | WO | disclosed |