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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4392163 | 0.87 | CES2 (0.46) | KIF11CES2CES1GSK3BCYP1A2 | |
| Bromide SCHEMBL8121179 | 0.86 | USP2 (0.55) | KIF11USP2RAB9A | |
| Bromide SCHEMBL28026302 | 0.80 | KIF11 (0.67) | KIF11USP2RAB9ACES2CES1 | |
| SCHEMBL29091790 | 0.79 | KIF11 (0.54) | KIF11USP2RAB9ACES2CES1 | |
| Bromide SCHEMBL7180638 | 0.78 | CYP19A1 (0.39) | KIF11USP2RAB9APTPN1 | |
| SCHEMBL173641 | 0.78 | KIF11 (0.70) | KIF11USP2RAB9ACES2CES1 | |
| SCHEMBL10958010 | 0.76 | CYP1A2 (0.50) | USP2RAB9ACYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7816092 | 0.75 | KIF11 (0.67) | KIF11USP2RAB9ACES2CES1 | |
| Ammonia Solution, Strong SCHEMBL28086851 | 0.75 | KIF11 (0.67) | KIF11USP2RAB9ACES2CES1 | |
| SCHEMBL21490758 | 0.73 | KIF11 (0.58) | KIF11USP2RAB9ACES2CES1 |
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-1027050-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021555-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-05-06 | — | — | WO | disclosed |