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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | SNCA | P37840 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
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 SCHEMBL376956 | 0.90 | KMT2A (0.52) | HIF1ASNCAKMT2AALDH1A1DPP4 | |
| Bromide SCHEMBL2446627 | 0.88 | HIF1A (0.55) | HIF1ASNCAKMT2ACYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6966008 | 0.85 | KMT2A (0.52) | HIF1ASNCAKMT2AALDH1A1DPP4 | |
| Hydrochloric Acid SCHEMBL9292231 | 0.83 | HIF1A (0.55) | HIF1ASNCAKMT2ACYP1A2ALDH1A1 | |
| Bromide SCHEMBL1744199 | 0.82 | CYP2C19 (0.41) | HIF1ASNCAKMT2ACYP1A2CYP2C19 | |
| Bromide SCHEMBL4287071 | 0.80 | HIF1A (0.46) | HIF1ASNCACYP1A2ALDH1A1CYP2D6 | |
| Bromide SCHEMBL2451357 | 0.78 | HIF1A (0.44) | HIF1ASNCAALDH1A1TSHR | |
| Bromide SCHEMBL4175689 | 0.78 | HIF1A (0.44) | HIF1ASNCAKMT2ACYP1A2ALDH1A1 | |
| Bromide SCHEMBL1465677 | 0.78 | HIF1A (0.44) | HIF1ASNCACYP1A2ALDH1A1CYP2D6 | |
| Bromide SCHEMBL1957564 | 0.78 | HIF1A (0.44) | HIF1ASNCACYP1A2ALDH1A1CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699699-B1 | Poly(4,5,9,10-tetrahydropyrene-2,7-diyl)-derivatives and their use as electroluminiscent materials | AVENTIS RES & TECH GMBH & CO (DE) | 1999-11-03 | — | — | EP | disclosed |
| US-5728480-A | Poly(4,5,9,10-tetrahydropyrene-2,7-diyl) derivatives and their use as electroluminescence materials | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-17 | — | — | US | disclosed |
| EP-0699699-A1 | Poly(4,5,9,10-tetrahydropyrene-2,7-diyl)-derivatives and their use as electroluminiscent materials | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-03-06 | — | — | EP | disclosed |