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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 11/20 | 0.60 |
| ▸ | MME | P08473 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.56 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 SCHEMBL10565963 | 1.00 | ACE (0.60) | ACEMMEABCB11AGTR2PDE3A | |
| SCHEMBL10568197 | 0.99 | ACE (0.61) | ACEMMEABCB11AGTR2PDE3A | |
| SCHEMBL10368925 | 0.99 | ACE (0.61) | ACEMMEABCB11AGTR2PDE3A | |
| Hydrochloric Acid SCHEMBL10566947 | 0.98 | ACE (0.60) | ACEMMEABCB11AGTR2PDE3A | |
| Bromide SCHEMBL10567864 | 0.96 | ACE (0.55) | ACEMMEABCB11AGTR2PDE3A | |
| SCHEMBL10369133 | 0.95 | ACE (0.56) | ACEMMEABCB11AGTR2PDE3A | |
| Bromide SCHEMBL10729947 | 0.95 | ACE (0.57) | ACEMMEABCB11AGTR2PDE3A | |
| Bromide SCHEMBL10729953 | 0.95 | ACE (0.57) | ACEMMEABCB11AGTR2PDE3A | |
| SCHEMBL10369232 | 0.94 | ACE (0.58) | ACEMMEABCB11AGTR2PDE3A | |
| SCHEMBL10366757 | 0.93 | ACE (0.56) | ACEMMEABCB11AGTR2PDE3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4808713-A | Anthypertensive pyridazo [1,2-a][1,2]diazepines | HOFFMAN-LA ROCHE INC. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4512924-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1985-04-23 | — | — | US | disclosed |