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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6428239 | 0.85 | ALDH1A1 (0.40) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| Bromide SCHEMBL7642851 | 0.83 | ALDH1A1 (0.36) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| Bromide SCHEMBL8387000 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| Bromide SCHEMBL2955255 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL6935658 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| Bromide SCHEMBL8387006 | 0.70 | ALDH1A1 (0.65) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL23788 | 0.67 | CA1 (0.58) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL10846507 | 0.67 | CA1 (0.58) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7930818 | 0.67 | CA1 (0.58) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| Ammonia Solution, Strong SCHEMBL5999943 | 0.67 | CA1 (0.58) | ALDH1A1F2PRSS1PRSS2PRSS3 |
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-1175155-A4 | METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF | FOX CHASE CANCER CT (US) | 2005-10-19 | — | — | EP | disclosed |
| EP-1175155-A1 | METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF | FOX CHASE CANCER CENTER (US) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000062626-A1 | METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF | FOX CHASE CANCER CENTER (US) | 2000-10-26 | — | — | WO | disclosed |