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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | EGFR | P00533 | 4/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9666642 | 0.97 | ALDH1A1 (0.43) | ALDH1A1EGFRPDGFRBPDGFRAAPP | |
| SCHEMBL22045619 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDGLAMAPTACHE | |
| SCHEMBL24253514 | 0.73 | LMNA (0.44) | ALDH1A1LMNA | |
| SCHEMBL25065376 | 0.73 | ESR1 (0.38) | ALDH1A1KDM4EGAALMNAMAPT | |
| SCHEMBL24924722 | 0.73 | ALDH1A1 (0.37) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL17885779 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDLMNACYP1A2 | |
| SCHEMBL13156541 | 0.72 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL13156493 | 0.72 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL31255814 | 0.71 | LCK (0.43) | ALDH1A1EGFRAPPKDM4EGAA | |
| SCHEMBL337114 | 0.71 | LCK (0.43) | ALDH1A1EGFRAPPKDM4EGAA |
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-5194433-A | Improved effectiveness against resistant bacteria | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-03-16 | — | — | US | disclosed |
| EP-0485808-A2 | Antibiotic C-3 catechol-substituted cephalosporin compounds, compositions and use thereof | Bristol-Myers Squibb Company (US) | 1992-05-20 | — | — | EP | disclosed |