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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 8/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30493226 | 0.98 | EGLN3 (0.47) | EGLN3TBXA2RTBXAS1ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL28442496 | 0.97 | EGLN3 (0.46) | EGLN3TBXA2RTBXAS1ALDH1A1TDP1 | |
| Sulfuric Acid SCHEMBL28435733 | 0.92 | EGLN3 (0.42) | EGLN3TBXA2RTBXAS1ALDH1A1TDP1 | |
| SCHEMBL5513660 | 0.81 | CYP17A1 (0.46) | TBXA2RTBXAS1ALDH1A1TDP1KDM4E | |
| Bromide SCHEMBL28351576 | 0.79 | CYP24A1 (0.44) | TBXA2RTBXAS1ALDH1A1TDP1KDM4E | |
| SCHEMBL5531539 | 0.79 | CYP17A1 (0.48) | TBXA2RTBXAS1ALDH1A1TDP1KDM4E | |
| SCHEMBL28483261 | 0.78 | KDM4E (0.54) | EGLN3TBXA2RTBXAS1ALDH1A1TDP1 | |
| SCHEMBL5512438 | 0.78 | TBXAS1 (0.44) | TBXA2RTBXAS1CYP24A1 | |
| Hydrochloric Acid SCHEMBL10770811 | 0.78 | CYP17A1 (0.47) | TBXA2RTBXAS1KDM4ECYP24A1 | |
| SCHEMBL27887491 | 0.77 | CYP24A1 (0.45) | TBXA2RTBXAS1ALDH1A1TDP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-110252407-B | Method for preparing core-shell structure catalyst by carboxyl functionalized ionic liquid | 福州大学 | 2020-08-11 | — | — | CN | disclosed |