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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.56 |
| ▸ | FNTA | P49354 | 9/20 | 0.45 |
| ▸ | FNTB | P49356 | 9/20 | 0.45 |
| ▸ | PGGT1B | P53609 | 9/20 | 0.45 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7194363 | 0.99 | CYP11B1 (0.57) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7654511 | 0.87 | CYP11B1 (0.51) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Bromide SCHEMBL6409239 | 0.87 | CYP11B1 (0.54) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7163166 | 0.85 | CYP11B1 (0.55) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL3501397 | 0.84 | FNTA (0.58) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7187666 | 0.84 | CYP11B1 (0.60) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Hydrochloric Acid SCHEMBL2789879 | 0.83 | CYP11B1 (0.47) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Hydrochloric Acid SCHEMBL7970012 | 0.83 | FNTA (0.57) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7658010 | 0.82 | CYP11B1 (0.53) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| Bromide SCHEMBL7574960 | 0.82 | CYP11B1 (0.49) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2000059930-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| US-6103487-A | DETECTING MODULATORS THAT SUPPRESS THE ACTIVITY OF A TRANSFERASES; ANTICARCINOGENIC AGENTS | MERCK & CO., INC. (US) | 2000-08-15 | — | — | US | disclosed |
| WO-2000025789-A1 | A METHOD OF TREATING ENDOMETRIOSIS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |