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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.53 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.50 |
| ▸ | PTGIR | P43119 | 1/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 SCHEMBL7378738 | 1.00 | TACR1 (0.53) | TACR1AGTR2PTGIRPTGDRALDH1A1 | |
| SCHEMBL7422588 | 0.91 | AGTR2 (0.52) | TACR1AGTR2ALDH1A1 | |
| SCHEMBL7422576 | 0.91 | AGTR2 (0.52) | TACR1AGTR2ALDH1A1 | |
| SCHEMBL9712338 | 0.88 | AGTR2 (0.62) | TACR1AGTR2ALDH1A1 | |
| SCHEMBL9712336 | 0.88 | AGTR2 (0.62) | TACR1AGTR2ALDH1A1 | |
| SCHEMBL7385930 | 0.85 | AGTR2 (0.51) | TACR1AGTR2ALDH1A1 | |
| SCHEMBL7385924 | 0.85 | AGTR2 (0.51) | TACR1AGTR2ALDH1A1 | |
| Acetic Acid SCHEMBL7387154 | 0.85 | AGTR2 (0.58) | TACR1AGTR2ALDH1A1 | |
| Acetic Acid SCHEMBL7387159 | 0.85 | AGTR2 (0.58) | TACR1AGTR2ALDH1A1 | |
| Acetic Acid SCHEMBL7379961 | 0.83 | AGTR2 (0.49) | TACR1AGTR2PTGIR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995000498-A1 | N,N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1995-01-05 | — | — | WO | disclosed |
| US-5348955-A | Angiotensis II antagonists | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5344830-A | Anitinflammatory, cardiovascular, analgesic, central nervous system | MERCK & CO., INC. (US) | 1994-09-06 | — | — | US | disclosed |
| WO-1994013646-A1 | N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |
| US-5292726-A | N,N-diacylpiperazines | MERCK & CO., INC. (US) | 1994-03-08 | — | — | US | disclosed |
| WO-1992020661-A1 | N, N-DIACYLPIPERAZINES | MERCK & CO., INC. (US) | 1992-11-26 | — | — | WO | disclosed |