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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.43 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.43 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.43 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 5/20 | 0.43 |
| ▸ | DRD3 | P35462 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | HTR5A | P47898 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5373529 | 0.98 | ADRB1 (0.44) | ADRB1HTR6DRD3DRD2HTR1A | |
| Hydrochloric Acid SCHEMBL5374469 | 0.97 | LMNA (0.45) | ADRB1HTR6DRD3DRD2HTR1A | |
| SCHEMBL20129632 | 0.85 | AHR (0.50) | ADRB1HTR6DRD3DRD2HTR1A | |
| Bromide SCHEMBL11196359 | 0.77 | DRD2 (0.48) | ADRB1HTR6DRD3DRD2HTR1A | |
| SCHEMBL11194827 | 0.75 | DRD2 (0.49) | ADRB1HTR6DRD3DRD2HTR1A | |
| SCHEMBL5372181 | 0.74 | ADRB1 (0.46) | ADRB1HTR6DRD3DRD2HTR1A | |
| SCHEMBL9118227 | 0.74 | HTR2C (0.46) | ADRB1HTR6DRD3DRD2HTR1A | |
| SCHEMBL5373690 | 0.73 | BACE1 (0.50) | ALDH1A1LMNA | |
| SCHEMBL21995763 | 0.73 | ADRB1 (0.52) | ADRB1HTR6DRD3DRD2HTR1A | |
| Hydrochloric Acid SCHEMBL11196563 | 0.72 | DRD2 (0.47) | ADRB1HTR6DRD3DRD2HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5691341-A | ANTILEUKEMIA AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| EP-0623598-A1 | APOPTOSIS REGULATOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-11-09 | — | — | EP | disclosed |
| US-4415572-A | CARDIOTONIC AND INOTROPIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1983-11-15 | — | — | US | disclosed |