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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.41 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9570366 | 0.99 | MEN1 (0.42) | MEN1TP53CYP3A4KMT2ASLC22A1 | |
| Bromide SCHEMBL8870582 | 0.89 | — | — | |
| SCHEMBL9570347 | 0.87 | — | — | |
| SCHEMBL11077473 | 0.82 | HTR2A (0.47) | MEN1TP53CYP3A4KMT2ASLC22A1 | |
| Chloropromazine Sulfoxide SCHEMBL31540233 | 0.81 | CYP2D6 (0.62) | MEN1TP53CYP3A4KMT2ASLC22A1 | |
| Chloropromazine Sulfoxide SCHEMBL30463300 | 0.81 | CYP2D6 (0.62) | MEN1TP53CYP3A4KMT2ASLC22A1 | |
| Chloropromazine Sulfoxide SCHEMBL1155596 | 0.81 | CYP2D6 (0.62) | MEN1TP53CYP3A4KMT2ASLC22A1 | |
| Chloropromazine Sulfoxide SCHEMBL9724483 | 0.81 | LMNA (0.63) | MEN1TP53CYP3A4KMT2ASLC22A1 | |
| SCHEMBL18752073 | 0.80 | DRD2 (0.63) | MEN1TP53CYP3A4KMT2ASLC22A1 | |
| SCHEMBL10925157 | 0.77 | CYP2D6 (0.62) | MEN1TP53CYP3A4KMT2ASLC22A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5654323-A | 2-NITROGEN-CONTAINING FUNCTIONAL GROUP-HALOBENZOTHIAZOLES; ANALGESICS; ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; INHIBITORS OF CYTOKINES (INCLUDING TUMOR NECROSIS FACTOR) AND PHOSPHOLIPASE; SEPTIC SHOCK | ADIR ET COMPAGNIE (FR) | 1997-08-05 | — | — | US | disclosed |
| US-5597819-A | ANTIINFLAMMATORY AGENTS | ADIR ET COMPAGNIE (FR) | 1997-01-28 | — | — | US | disclosed |
| US-5550143-A | Heterocyclic compounds | ADIR ET COMPAGNIE (FR) | 1996-08-27 | — | — | US | disclosed |