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 | 0.61 |
| ▸ | CYP4F2 | P78329 | 5/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | DGKA | P23743 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6736 | 0.98 | — | — | |
| 1,4-Butanediol SCHEMBL3741340 | 0.95 | CYP1A2 (0.61) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Hydrochloric Acid SCHEMBL7860742 | 0.95 | CYP1A2 (0.61) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Water SCHEMBL3255554 | 0.95 | CYP1A2 (0.61) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Ethylene Glycol SCHEMBL3734957 | 0.95 | CYP1A2 (0.61) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| SCHEMBL28149215 | 0.95 | CYP1A2 (0.61) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Ammonia Solution, Strong SCHEMBL10919642 | 0.95 | CYP1A2 (0.61) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL989387 | 0.91 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL5722467 | 0.91 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM | |
| Acetic Acid SCHEMBL15993372 | 0.91 | CYP1A2 (0.57) | CYP1A2CYP4F2CYP4A11GAAMGAM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1551796-A4 | IMPROVED SYNTHETON SYNTHESIS | SK ENERGY AND CHEMICAL INC (US) | 2007-03-14 | — | — | EP | disclosed |
| EP-1551796-A1 | IMPROVED SYNTHETON SYNTHESIS | SK Energy and Chemical, Inc. (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004031131-A1 | IMPROVED SYNTHETON SYNTHESIS | SK ENERGY AND CHEMICAL INC. (US) | 2004-04-15 | — | — | WO | disclosed |