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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAM | P19021 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9830584 | 1.00 | PAM (0.43) | PAML3MBTL1EPHX1EPHX2 | |
| Bromide SCHEMBL9828257 | 0.93 | EPHX1 (0.49) | EPHX1 | |
| Bromide SCHEMBL9829707 | 0.87 | EPHX1 (0.49) | EPHX1 | |
| Bromide SCHEMBL9830295 | 0.86 | ACHE (0.47) | EPHX1 | |
| SCHEMBL9827743 | 0.85 | PAM (0.48) | PAML3MBTL1EPHX1EPHX2 | |
| SCHEMBL9828525 | 0.85 | PAM (0.48) | PAML3MBTL1EPHX1EPHX2 | |
| SCHEMBL9828423 | 0.85 | PAM (0.48) | PAML3MBTL1EPHX1EPHX2 | |
| SCHEMBL9828118 | 0.85 | PAM (0.48) | PAML3MBTL1EPHX1EPHX2 | |
| SCHEMBL9829281 | 0.85 | PAM (0.48) | PAML3MBTL1EPHX1EPHX2 | |
| SCHEMBL9830422 | 0.85 | PAM (0.48) | PAML3MBTL1EPHX1EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0247201-B1 | PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1991-05-15 | — | — | EP | disclosed |
| US-4945098-A | Novel propane-1,3-diol derivatives and use | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1990-07-31 | — | — | US | disclosed |