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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2435587 | 0.98 | ALOX15 (0.52) | SMN1; SMN2NR4A1APEX1ALOX15MCL1 | |
| SCHEMBL29416383 | 0.98 | ALOX15 (0.52) | SMN1; SMN2NR4A1APEX1ALOX15MCL1 | |
| SCHEMBL13980911 | 0.83 | MAPT (0.55) | KMT2AMAPTTSHR | |
| SCHEMBL6200661 | 0.80 | NPC1 (0.57) | SMN1; SMN2ALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL2438238 | 0.79 | GAA (0.58) | SMN1; SMN2ALDH1A1KMT2AMAPTTSHR | |
| SCHEMBL16796518 | 0.77 | LMNA (0.51) | SMN1; SMN2ALOX15ALDH1A1KMT2AMAPT | |
| SCHEMBL16421193 | 0.77 | ALDH1A1 (0.49) | SMN1; SMN2NR4A1APEX1ALOX15MCL1 | |
| SCHEMBL22711544 | 0.77 | ALOX15 (0.52) | SMN1; SMN2NR4A1APEX1ALOX15MCL1 | |
| SCHEMBL20331323 | 0.77 | MAPT (0.57) | SMN1; SMN2ALDH1A1KMT2AMAPT | |
| SCHEMBL21211685 | 0.77 | PTPN7 (0.61) | SMN1; SMN2NR4A1APEX1ALOX15MCL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1339692-A1 | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-09-03 | — | — | EP | disclosed |
| US-6472404-B1 | HIV protease inhibitors | HOFFMANN-LA ROCHE INC. | 2002-10-29 | — | — | US | disclosed |
| WO-2002042277-A1 | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |