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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412731 | 0.90 | KDM4E (0.52) | KDM4EHTTALDH1A1NPC1RAB9A | |
| Bromide SCHEMBL9412596 | 0.81 | HDAC1 (0.45) | KDM4EALDH1A1NPC1RAB9ARECQL | |
| Bromide SCHEMBL9412462 | 0.81 | ITGB3 (0.56) | MAPTPOLB | |
| Bromide SCHEMBL9412526 | 0.80 | HDAC6 (0.44) | KDM4EALDH1A1NPC1RAB9ARECQL | |
| SCHEMBL9188544 | 0.80 | ITGB3 (0.57) | MAPTPOLB | |
| Bromide SCHEMBL9412705 | 0.79 | MEN1 (0.50) | HTTALDH1A1RECQLHSD17B10LMNA | |
| SCHEMBL9412444 | 0.79 | HDAC6 (0.45) | KDM4EALDH1A1NPC1RAB9ARECQL | |
| Bromide SCHEMBL9412454 | 0.75 | HDAC6 (0.40) | KDM4EALDH1A1NPC1RAB9ARECQL | |
| Bromide SCHEMBL9412485 | 0.75 | PDE3B (0.50) | — | |
| SCHEMBL9412664 | 0.74 | PDE3B (0.42) | KDM4EALDH1A1NPC1RAB9AHSD17B10 |
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-0611660-A2 | Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1994-08-24 | — | — | EP | disclosed |