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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 13/20 | 0.52 |
| ▸ | DRD2 | P14416 | 8/20 | 0.52 |
| ▸ | DRD5 | P21918 | 4/20 | 0.51 |
| ▸ | DRD4 | P21917 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747165 | 0.99 | DRD1 (0.53) | DRD1DRD2DRD5DRD4TSHR | |
| Bromide SCHEMBL8747156 | 0.91 | DRD2 (0.53) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747172 | 0.90 | DRD2 (0.54) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747323 | 0.89 | DRD1 (0.56) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747086 | 0.86 | DRD2 (0.45) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL9299034 | 0.84 | DRD1 (0.39) | DRD1DRD2DRD5DRD4NR1I2 | |
| SCHEMBL8747152 | 0.84 | DRD1 (0.55) | DRD1DRD2DRD5DRD3 | |
| SCHEMBL8747167 | 0.84 | MAOA (0.49) | DRD1DRD2DRD5DRD4TSHR | |
| SCHEMBL8747056 | 0.84 | DRD1 (0.60) | DRD1DRD2DRD5DRD4TSHR | |
| Bromide SCHEMBL8747292 | 0.81 | DRD1 (0.44) | DRD1DRD2DRD5DRD4TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1045291-C | Therapeutic agents | BOOTS CO PLC (GB) | 1999-09-29 | — | — | CN | disclosed |
| 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 |
| CN-1096780-A | Therapeutic agents containing novel tetrahydroisoquinoline compounds | BOOTS CO PLC (GB) | 1994-12-28 | — | — | CN | 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 |