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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | IKBKB | O14920 | 2/20 | 0.49 |
| ▸ | CHUK | O15111 | 1/20 | 0.49 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.49 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9208056 | 0.93 | ALDH1A1 (0.58) | ALDH1A1KDM4CIKBKBCHUKIKBKE | |
| Biphenyl SCHEMBL27519921 | 0.86 | BCAT2 (0.59) | ALDH1A1KDM4CSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL1515723 | 0.86 | BCAT2 (0.59) | ALDH1A1KDM4CSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL31125227 | 0.86 | BCAT2 (0.63) | ALDH1A1KDM4CSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL294730 | 0.86 | BCAT2 (0.63) | ALDH1A1KDM4CSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL27762081 | 0.84 | BCAT2 (0.53) | ALDH1A1KDM4CIKBKESMN1; SMN2KMT2A | |
| SCHEMBL30955031 | 0.82 | BCAT2 (0.57) | ALDH1A1KDM4CSMN1; SMN2KMT2AMEN1 | |
| Carbamic Acid SCHEMBL27885339 | 0.80 | BCAT2 (0.68) | ALDH1A1KDM4CSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL6794827 | 0.80 | ALDH1A1 (0.60) | ALDH1A1NOTUMIKBKBCHUKIKBKE | |
| Cyanide SCHEMBL27967152 | 0.80 | BCAT2 (0.57) | ALDH1A1KDM4CSMN1; SMN2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110642778-B | Viologen compound, preparation method and application thereof | 淮阴师范学院 | 2022-10-04 | — | — | CN | disclosed |
| CN-110642778-A | Viologen compound, preparation method and application thereof | 淮阴师范学院 | 2020-01-03 | — | — | CN | disclosed |