Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4004840 | 0.96 | TDP1 (0.50) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL29635182 | 0.96 | TDP1 (0.50) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL7799500 | 0.93 | TDP1 (0.48) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL32685426 | 0.93 | TDP1 (0.48) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28333146 | 0.91 | TDP1 (0.50) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28427105 | 0.87 | TDP1 (0.46) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28152680 | 0.87 | TDP1 (0.46) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL1120987 | 0.84 | CYP3A4 (0.58) | TDP1CYP3A4DRD1ESR1ESR2 | |
| SCHEMBL6292080 | 0.84 | ALDH1A1 (0.46) | TDP1CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL28152682 | 0.83 | TDP1 (0.42) | TDP1CYP3A4ALDH1A1HSD17B10HPGD |
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-2004037869-A2 | LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2004-05-06 | — | — | WO | disclosed |