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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11736879 | 0.74 | KMT2A (0.41) | TP53SNCACYP2D6RAB9AMEN1 | |
| Bromide SCHEMBL7972797 | 0.72 | MRGPRX4 (0.42) | TP53SMN1; SMN2KMT2AL3MBTL1ALDH1A1 | |
| Bromide SCHEMBL20493328 | 0.71 | SNCA (0.38) | HIF1ASNCACYP2D6MAPTALDH1A1 | |
| Bromide SCHEMBL4750734 | 0.69 | CYP2C19 (0.48) | HIF1ASNCACYP2D6SLC6A3RAB9A | |
| Bromide SCHEMBL11331185 | 0.69 | HIF1A (0.39) | HIF1ASNCACYP2D6MAPTALDH1A1 | |
| SCHEMBL146369 | 0.68 | TP53 (0.61) | TP53THRBPRMT6CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL11334993 | 0.68 | HIF1A (0.38) | HIF1ASNCACYP2D6MAPTALDH1A1 | |
| Bromide SCHEMBL20492965 | 0.68 | SNCA (0.45) | TP53HIF1ASNCACYP2D6SMN1; SMN2 | |
| SCHEMBL6844118 | 0.67 | PRMT6 (0.50) | TP53THRBPRMT6CYP3A4CYP2D6 | |
| Bromide SCHEMBL4178635 | 0.67 | HIF1A (0.44) | HIF1ASNCACYP2D6SLC6A2SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4256878-A | THIENYL COMPOUNDS, ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1981-03-17 | — | — | US | disclosed |
| US-4230872-A | ANTITUMOR AGENTS, THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENE | HOFFMANN-LA ROCHE INC. (US) | 1980-10-28 | — | — | US | disclosed |
| US-4116975-A | 9-THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENES, ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4061656-A | ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1977-12-06 | — | — | US | disclosed |