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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SLC27A1 | Q6PCB7 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL197826 | 0.98 | KMT2A (0.68) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL12789839 | 0.85 | KMT2A (0.69) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13494276 | 0.84 | KMT2A (0.68) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL5887507 | 0.82 | ALDH1A1 (0.68) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13210057 | 0.81 | KMT2A (0.64) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL22058082 | 0.80 | KMT2A (0.55) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL196599 | 0.80 | KMT2A (1.00) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL954146 | 0.80 | KMT2A (0.76) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL8315301 | 0.80 | KMT2A (1.00) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL6113039 | 0.79 | POLB (0.64) | KMT2AHTTSMN1; SMN2ALDH1A1KDM4E |
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-3886848-A1 | PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS | Rutgers, The State University of New Jersey (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020112845-A1 | PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2020-06-04 | — | — | WO | disclosed |