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 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL24254064 | 0.98 | KDM4E (0.50) | KDM4EALDH1A1MAPK1NOTUMPTPN1 | |
| SCHEMBL20646989 | 0.83 | KDM4E (0.50) | KDM4EALDH1A1MAPK1NOTUMTP53 | |
| SCHEMBL7412453 | 0.80 | NR4A2 (0.51) | KDM4EALDH1A1MAPK1NOTUMTP53 | |
| SCHEMBL17303476 | 0.80 | NOTUM (0.58) | KDM4EALDH1A1MAPK1NOTUMPTPN1 | |
| SCHEMBL16563643 | 0.79 | MAPT (0.51) | KDM4EALDH1A1MAPK1NOTUMPTPN1 | |
| SCHEMBL24253972 | 0.79 | KDM4E (0.46) | KDM4EALDH1A1MAPK1NOTUMTP53 | |
| SCHEMBL11501154 | 0.79 | KDM4E (0.50) | KDM4EALDH1A1MAPK1NOTUMPTPN1 | |
| SCHEMBL321724 | 0.78 | LMNA (0.61) | KDM4EALDH1A1MAPK1NOTUMTP53 | |
| SCHEMBL3407808 | 0.78 | PLOD2 (0.58) | KDM4EALDH1A1MAPK1NOTUMTP53 | |
| SCHEMBL14376685 | 0.78 | LMNA (0.69) | KDM4EALDH1A1LMNARXFP1 |
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-0946587-A2 | NEW AMIDE COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998027108-A2 | NEW AMIDE COMPOUNDS AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-06-25 | — | — | WO | disclosed |