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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 4/20 | 0.39 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.37 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.37 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.37 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.37 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747047 | 0.88 | MEN1 (0.48) | PKMMEN1KMT2ASLC6A9MAOA | |
| SCHEMBL8747215 | 0.86 | PKM (0.54) | PKMMEN1KMT2ASLC6A9GRIN2D | |
| SCHEMBL8747103 | 0.78 | MAOA (0.42) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8747129 | 0.76 | PKM (0.46) | PKMMEN1KMT2ASLC6A9MAOA | |
| SCHEMBL8747203 | 0.72 | PKM (0.47) | PKMMEN1KMT2ASLC6A9MAOA | |
| Bromide SCHEMBL8747077 | 0.72 | MEN1 (0.45) | PKMMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL8747312 | 0.72 | SLC6A9 (0.65) | PKMMEN1KMT2ASLC6A9GRIN2D | |
| SCHEMBL8746992 | 0.71 | MEN1 (0.46) | PKMMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL8747353 | 0.70 | HTR2C (0.45) | PKMMEN1KMT2ASLC6A9GRIN1 | |
| SCHEMBL989918 | 0.69 | SLC6A9 (0.60) | PKMMEN1KMT2ASLC6A9GRIN2D |
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 |