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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | FDPS | P14324 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 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 SCHEMBL4663245 | 1.00 | SPHK1 (0.43) | SPHK1LMNADNM1OPRM1ACE2 | |
| Bromide SCHEMBL1840434 | 0.98 | SPHK1 (0.42) | SPHK1LMNADNM1OPRM1ACE2 | |
| SCHEMBL239716 | 0.98 | SPHK1 (0.45) | SPHK1LMNAOPRM1ACE2PSMD14 | |
| SCHEMBL239692 | 0.98 | SPHK1 (0.45) | SPHK1LMNAOPRM1ACE2PSMD14 | |
| SCHEMBL1838532 | 0.98 | SPHK1 (0.45) | SPHK1LMNAOPRM1ACE2PSMD14 | |
| SCHEMBL238534 | 0.98 | SPHK1 (0.45) | SPHK1LMNAOPRM1ACE2PSMD14 | |
| SCHEMBL15646327 | 0.98 | SPHK1 (0.45) | SPHK1LMNAOPRM1ACE2PSMD14 | |
| Water SCHEMBL16398739 | 0.95 | SPHK1 (0.43) | SPHK1LMNAOPRM1ACE2PSMD14 | |
| Hydrochloric Acid SCHEMBL1831241 | 0.95 | SPHK1 (0.43) | SPHK1LMNADNM1OPRM1ACE2 | |
| Hydrochloric Acid SCHEMBL9864879 | 0.95 | SPHK1 (0.43) | SPHK1LMNADNM1OPRM1ACE2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1809279-B1 | PARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR | BAXTER INT (US) | 2013-05-29 | — | — | EP | claimed |
| EP-1871345-B1 | NANOPARTICULATE ERLOTINIB FORMULATIONS | ELAN PHARMA INT LTD (IE) | 2012-08-01 | — | — | EP | claimed |
| EP-1471887-B1 | NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER | ELAN PHARMA INT LTD (IE) | 2010-04-21 | — | — | EP | claimed |