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 | 0.54 |
| ▸ | DRD1 | P21728 | 15/20 | 0.72 |
| ▸ | DRD2 | P14416 | 8/20 | 0.72 |
| ▸ | DRD5 | P21918 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ADCY5 | O95622 | 2/20 | 0.54 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.54 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.54 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.54 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.54 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.54 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.54 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.54 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10690380 | 0.99 | DRD1 (0.71) | DRD1DRD2DRD5KDM4EHPGD | |
| Bromide SCHEMBL11452838 | 0.91 | DRD1 (0.67) | DRD1DRD2DRD5KDM4EHPGD | |
| SCHEMBL11454381 | 0.90 | DRD1 (0.67) | DRD1DRD2DRD5KDM4EHPGD | |
| SCHEMBL13007204 | 0.82 | DRD1 (1.00) | DRD1DRD2DRD5KDM4EHPGD | |
| SCHEMBL10692418 | 0.81 | HTR2A (0.62) | DRD1DRD2DRD5ADCY5MAPK1 | |
| Bromide SCHEMBL10689985 | 0.80 | DRD1 (0.70) | DRD1DRD2DRD5KDM4EHPGD | |
| SCHEMBL10693955 | 0.78 | DRD1 (0.70) | DRD1DRD2DRD5KDM4EHPGD | |
| SCHEMBL29558201 | 0.77 | DRD1 (0.76) | DRD1DRD2DRD5KDM4EHPGD | |
| SCHEMBL13901044 | 0.77 | DRD1 (0.72) | DRD1DRD2DRD5KDM4EHPGD | |
| SCHEMBL11452002 | 0.77 | DRD1 (0.57) | DRD1DRD5ADCY5ALDH1A1MAPK1 |
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-4751222-A | 2,3,4,5-tetrahydro-1H-3-benzazepines and CNS affecting use thereof | NOVO INDUSTRI A/S (DK) | 1988-06-14 | — | — | US | disclosed |
| EP-0200455-A2 | 2,3,4,5-tetrahydro-1H-3-benzazepines substituted in position 5 | NOVO NORDISK A/S (DK) | 1986-11-05 | — | — | EP | disclosed |