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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11437613 | 0.95 | CYP19A1 (0.51) | CYP19A1CYP3A4CYP3A5KCNH2CCR6 | |
| SCHEMBL11433294 | 0.94 | CYP19A1 (0.45) | CYP19A1CYP3A4CYP3A5KCNH2CCR6 | |
| SCHEMBL11725562 | 0.85 | CYP19A1 (0.54) | CYP19A1CYP3A4CYP3A5KCNH2CCR6 | |
| SCHEMBL11729827 | 0.84 | CYP19A1 (0.50) | CYP19A1CYP3A4CYP3A5KCNH2CCR6 | |
| SCHEMBL11439074 | 0.82 | CYP19A1 (0.67) | CYP19A1KCNH2CCR6NPY2RCETP | |
| Hydrochloric Acid SCHEMBL11726394 | 0.82 | KCNH2 (0.53) | CYP19A1CYP3A4CYP3A5KCNH2CCR6 | |
| SCHEMBL11631843 | 0.81 | CYP19A1 (0.68) | CYP19A1CYP3A4CYP3A5NPY2RRAB9A | |
| SCHEMBL11630881 | 0.79 | CYP19A1 (0.62) | CYP19A1CYP3A4CYP3A5RAB9ACYP11B1 | |
| SCHEMBL11726054 | 0.77 | CYP3A4 (0.60) | CYP19A1CYP3A4CYP3A5KCNA5 | |
| SCHEMBL1878869 | 0.75 | CYP19A1 (0.55) | CYP19A1CYP3A4KCNH2KCNA5CYP11B2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4043791-A | Method of regulating the growth of aquatic weeds with pyridine derivatives | ELI LILLY AND COMPANY (US) | 1977-08-23 | — | — | US | disclosed |