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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.44 |
| ▸ | WNT3A | P56704 | 3/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3890738 | 0.82 | KMT2A (0.57) | KMT2AALDH1A1NPC1THRBMEN1 | |
| Bromide SCHEMBL3853760 | 0.80 | KMT2A (0.46) | KMT2AALDH1A1NPC1IDO1TDO2 | |
| Bromide SCHEMBL1647384 | 0.79 | KMT2A (0.55) | KMT2AALDH1A1NPC1THRBMEN1 | |
| SCHEMBL2231665 | 0.78 | KMT2A (0.52) | KMT2AALDH1A1NPC1THRBMEN1 | |
| Bromide SCHEMBL1647594 | 0.76 | KMT2A (0.51) | KMT2AALDH1A1NPC1THRBMEN1 | |
| Bromide SCHEMBL3884058 | 0.76 | KMT2A (0.74) | KMT2AALDH1A1NPC1THRBMEN1 | |
| Bromide SCHEMBL30663865 | 0.75 | KMT2A (0.60) | KMT2AALDH1A1NPC1THRBMEN1 | |
| Bromide SCHEMBL8652311 | 0.75 | KMT2A (0.60) | KMT2AALDH1A1NPC1THRBMEN1 | |
| Bromide SCHEMBL1645919 | 0.75 | KMT2A (0.73) | KMT2AALDH1A1NPC1THRBMEN1 | |
| Bromide SCHEMBL3883793 | 0.75 | KMT2A (0.50) | KMT2AALDH1A1NPC1THRBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1888063-B1 | ANTIFUNGAL AGENTS | F2G LTD (GB) | 2009-01-14 | — | — | EP | disclosed |