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 | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10921930 | 0.98 | MEN1 (0.53) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 | |
| Bromide SCHEMBL10553254 | 0.90 | MEN1 (0.50) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL10927495 | 0.88 | MEN1 (0.51) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 | |
| Bromide SCHEMBL10559586 | 0.87 | MEN1 (0.36) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL10923866 | 0.85 | MEN1 (0.37) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 | |
| Bromide SCHEMBL10554721 | 0.84 | NOX1 (0.48) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL10924293 | 0.83 | NOX1 (0.49) | MEN1KMT2AL3MBTL1 | |
| Bromide SCHEMBL10556202 | 0.78 | TP53 (0.51) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL6261729 | 0.77 | TP53 (0.58) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 | |
| Bromide SCHEMBL10554450 | 0.77 | ESR1 (0.37) | MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4847269-A | GLAUCOMA, AMIDES OR UREA DERIVATIVES OF AMINOETHYLCARBOXY COMPOUNDS | SYNTEX (U.S.A.) INC. (US) | 1989-07-11 | — | — | US | disclosed |
| US-4629730-A | ADMINISTERING DIALKYL OR CYCLOAKYL AMINO ETHYLANILINE DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1986-12-16 | — | — | US | disclosed |