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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL236197 | 0.89 | ADRB2 (0.43) | ADRB2ADRB1ADRB3CYP3A4CYP2D6 | |
| Bromide SCHEMBL10897310 | 0.89 | ADRB2 (0.43) | ADRB2ADRB1ADRB3CYP3A4CYP2D6 | |
| SCHEMBL31340078 | 0.87 | ADRB2 (0.45) | ADRB2ADRB1ADRB3CYP3A4CYP2D6 | |
| Iodide SCHEMBL9486141 | 0.84 | ADRB2 (0.43) | ADRB2ADRB1ADRB3CYP3A4CYP2D6 | |
| Bromide SCHEMBL495674 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL232156 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2797071 | 0.76 | ALDH1A1 (0.33) | ADRB2ADRB1ADRB3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL231357 | 0.72 | HSD17B10 (0.33) | — | |
| Hydrochloric Acid SCHEMBL10482272 | 0.69 | ADRB2 (0.46) | ADRB2ADRB1ADRB3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL12501118 | 0.60 | TSHR (0.63) | ADRB2ADRB1ADRB3CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4085276-A | CATALYST COMPOSED OF AN ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF A MAGNESIUM COMPOUND AND A TITANIUM COMPOUND | MITSUI PETROCHEMICAL INDUSTRIES LTD. (JA) | 1978-04-18 | — | — | US | claimed |