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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 15/20 | 0.42 |
| ▸ | DRD2 | P14416 | 10/20 | 0.42 |
| ▸ | DRD5 | P21918 | 5/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747109 | 0.99 | DRD1 (0.43) | NR1I2ALOX15TSHRMAPK1DRD1 | |
| SCHEMBL8747032 | 0.95 | DRD1 (0.41) | NR1I2ALOX15TSHRMAPK1DRD1 | |
| Bromide SCHEMBL8747293 | 0.89 | DRD1 (0.46) | NR1I2ALOX15TSHRMAPK1DRD1 | |
| SCHEMBL8747039 | 0.88 | DRD1 (0.46) | NR1I2ALOX15TSHRMAPK1DRD1 | |
| SCHEMBL8747187 | 0.86 | DRD1 (0.44) | NR1I2ALOX15TSHRMAPK1DRD1 | |
| Bromide SCHEMBL8747292 | 0.85 | DRD1 (0.44) | NR1I2ALOX15TSHRMAPK1DRD1 | |
| SCHEMBL8747103 | 0.84 | MAOA (0.42) | NR1I2ALOX15TSHRMAPK1 | |
| SCHEMBL8747135 | 0.84 | DRD1 (0.45) | NR1I2ALOX15TSHRMAPK1DRD1 | |
| Fumaric Acid SCHEMBL8747200 | 0.81 | DRD1 (0.48) | ALOX15TSHRDRD1DRD2DRD5 | |
| Maleic Acid SCHEMBL8747197 | 0.81 | DRD1 (0.48) | ALOX15TSHRDRD1DRD2DRD5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |