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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.50 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | CDC7 | O00311 | 2/20 | 0.49 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL369872 | 0.81 | CYP19A1 (0.59) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Bromide SCHEMBL2113280 | 0.81 | HDAC2 (0.62) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL290229 | 0.79 | HDAC2 (0.63) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL11632159 | 0.77 | MAPT (0.55) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL27556091 | 0.77 | CYP19A1 (0.55) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Bromide SCHEMBL7221661 | 0.76 | CYP19A1 (0.60) | CYP19A1AXLPBRM1MKNK1MKNK2 | |
| SCHEMBL1832714 | 0.76 | ALDH1A1 (0.42) | CYP2C9MAPTALDH1A1SMN1; SMN2GAA | |
| SCHEMBL1423803 | 0.76 | HSD17B10 (0.49) | CYP3A4HDAC2CDC7DBF4RAB9A | |
| SCHEMBL8298424 | 0.76 | KDM4E (0.61) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1422329 | 0.76 | CDC7 (0.48) | CYP3A4MKNK1MKNK2CDC7DBF4 |
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-2593447-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer Intellectual Property GmbH (DE) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007500-A2 | NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2012-01-19 | — | — | WO | disclosed |