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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL24331750 | 0.98 | KMT2A (0.46) | KMT2AXDHTNFCYP11B1CYP11B2 | |
| Bromide SCHEMBL4384622 | 0.83 | KMT2A (0.33) | KMT2AXDHRGS12CYP2D6CYP2C19 | |
| Bromide SCHEMBL9328086 | 0.82 | KMT2A (0.35) | KMT2AXDHRGS12CYP2D6CYP2C19 | |
| SCHEMBL18844450 | 0.79 | CA2 (0.38) | KMT2AXDHRGS12CYP2D6CYP2C19 | |
| SCHEMBL26921378 | 0.76 | XDH (0.48) | KMT2AXDHTNFCYP11B1CYP11B2 | |
| Bromide SCHEMBL17024429 | 0.74 | KMT2A (0.43) | KMT2AXDHTNFCYP11B1CYP11B2 | |
| Bromide SCHEMBL2214307 | 0.74 | XDH (0.60) | KMT2AXDHTNFCYP11B1CYP11B2 | |
| SCHEMBL15365349 | 0.73 | KMT2A (0.46) | KMT2AXDHTNFCYP11B1CYP11B2 | |
| Formic Acid SCHEMBL29625053 | 0.73 | KMT2A (0.59) | KMT2AXDHTNFCYP11B1CYP11B2 | |
| SCHEMBL2218265 | 0.72 | XDH (0.57) | KMT2AXDHTNFCYP11B1CYP11B2 |
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-2022081953-A1 | SYNTHESIS OF ALKYNONES VIA CARBONYLATIVE SONOGASHIRA COUPLING REACTIONS CATALYZED BY PD(II)-N-HETEROCYCLIC CARBENE-PYRIDINE COMPLEXES | SAUDI ARABIAN OIL COMPANY (SA) | 2022-04-21 | — | — | WO | disclosed |