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 | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.59 |
| ▸ | BAD | Q92934 | 1/20 | 0.59 |
| ▸ | PNMT | P11086 | 2/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.48 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.48 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.48 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.48 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.48 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.48 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.48 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.48 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL508243 | 0.98 | BCL2L1 (0.61) | BCL2L1BADPNMTHTR2CADCY6 | |
| Bromide SCHEMBL22117637 | 0.86 | CD44 (0.59) | BCL2L1BADPNMTHTR2CDRD2 | |
| Bromide SCHEMBL3306332 | 0.86 | PNMT (0.65) | BCL2L1BADPNMTHTR2CPRCP | |
| SCHEMBL30826977 | 0.84 | CD44 (0.61) | BCL2L1BADPNMTHTR2CDRD2 | |
| SCHEMBL1956718 | 0.84 | CD44 (0.61) | BCL2L1BADPNMTHTR2CDRD2 | |
| SCHEMBL3157785 | 0.84 | PNMT (0.67) | BCL2L1BADPNMTHTR2CPRCP | |
| SCHEMBL29914246 | 0.84 | PNMT (0.67) | BCL2L1BADPNMTHTR2CPRCP | |
| Hydrochloric Acid SCHEMBL15056499 | 0.82 | PNMT (0.65) | BCL2L1BADPNMTPRCPCD44 | |
| Hydrochloric Acid SCHEMBL30548954 | 0.82 | CD44 (0.59) | BCL2L1BADPNMTDRD2PARP1 | |
| Hydrochloric Acid SCHEMBL1956191 | 0.82 | CD44 (0.59) | BCL2L1BADPNMTDRD2PARP1 |
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-4469634-A | Allyloxy- and allylthio-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1984-09-04 | — | — | US | disclosed |
| EP-0103961-A1 | Allyloxy- and allylthio-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1984-03-28 | — | — | EP | disclosed |