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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 2/20 | 0.33 |
| ▸ | RGS12 | O14924 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.32 |
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 SCHEMBL9328086 | 0.88 | KMT2A (0.35) | KMT2AXDHRGS12CYP2D6CYP2C19 | |
| SCHEMBL18844450 | 0.84 | CA2 (0.38) | KMT2AXDHRGS12CYP2D6CYP2C19 | |
| Bromide SCHEMBL29620202 | 0.83 | KMT2A (0.45) | KMT2AXDHRGS12CYP2D6CYP2C19 | |
| SCHEMBL24331750 | 0.81 | KMT2A (0.46) | KMT2AXDHRGS12CYP2D6CYP2C19 | |
| Bromide SCHEMBL31603058 | 0.76 | SLC22A3 (0.32) | KMT2AALDH1A1SLC22A3 | |
| Bromide SCHEMBL11565946 | 0.76 | ALDH1A1 (0.49) | KMT2ACYP2C19CTDSP1ALDH1A1NPSR1 | |
| Bromide SCHEMBL4388009 | 0.76 | KMT2A (0.53) | KMT2AXDHRGS12CYP2D6CYP2C19 | |
| SCHEMBL16525747 | 0.74 | MEN1 (0.31) | KMT2AALDH1A1ALOX15SLC22A3 | |
| Iodide SCHEMBL17911357 | 0.73 | MEN1 (0.33) | KMT2AALOX15 | |
| Hydrochloric Acid SCHEMBL31603195 | 0.73 | MEN1 (0.31) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044169-B1 | USE OF PT- AND PD-BIS- AND TETRA-CARBON COMPLEXES WITH BRIDGED CARBON LIGANDS IN OLEDS | BASF SE (DE) | 2009-11-25 | — | — | EP | disclosed |