Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 9/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.46 |
| ▸ | FNTA | P49354 | 4/20 | 0.40 |
| ▸ | FNTB | P49356 | 4/20 | 0.40 |
| ▸ | PGGT1B | P53609 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL7168316 | 0.99 | CYP11B1 (0.47) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7259729 | 0.84 | CYP11B1 (0.61) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7163948 | 0.79 | CYP11B1 (0.52) | CYP11B1CYP11B2IDO1 | |
| SCHEMBL31472005 | 0.77 | CYP11B1 (0.62) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL31471987 | 0.77 | CYP11B1 (0.62) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Bromide SCHEMBL3625451 | 0.75 | CYP11B1 (0.77) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL27312515 | 0.75 | ALDH1A1 (0.61) | ALDH1A1IDH1IDO1 | |
| Bromide SCHEMBL6409239 | 0.75 | CYP11B1 (0.54) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Bromide SCHEMBL8005944 | 0.74 | CYP11B1 (0.56) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL6366103 | 0.74 | CYP11B1 (0.79) | CYP11B1CYP11B2FNTAFNTBPGGT1B |
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-1090012-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1090012-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-2000001702-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |