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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 SCHEMBL11815034 | 1.00 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Bromide SCHEMBL128888 | 1.00 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Bromide SCHEMBL1502787 | 1.00 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL33509 | 0.97 | CYP3A4 (0.50) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Water SCHEMBL35583 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Iodide SCHEMBL1157672 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Fluoride SCHEMBL1502751 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Water SCHEMBL9259705 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL553599 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL15346025 | 0.94 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1926719-A2 | 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007031440-A2 | 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-22 | — | — | WO | disclosed |