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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 10/20 | 0.72 |
| ▸ | HTR1B known ✓ | P28222 | 10/20 | 0.72 |
| ▸ | HTR1A known ✓ | P08908 | 5/20 | 0.68 |
| ▸ | HTR1F known ✓ | P30939 | 1/20 | 0.68 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.57 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | NMT2 | O60551 | 1/20 | 0.46 |
| ▸ | NMT1 | P30419 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7804661 | 1.00 | HTR1D (0.72) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| Bromide SCHEMBL7810212 | 0.87 | HTR1D (0.68) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| Bromide SCHEMBL7810209 | 0.87 | HTR1D (0.68) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| Bromide SCHEMBL7817539 | 0.87 | HTR1D (0.68) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| SCHEMBL7804355 | 0.85 | HTR1D (0.70) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| SCHEMBL9672029 | 0.85 | HTR1D (0.70) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| SCHEMBL8058259 | 0.84 | HTR1D (1.00) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| SCHEMBL8058260 | 0.84 | HTR1D (1.00) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| SCHEMBL7838126 | 0.81 | HTR1D (1.00) | HTR1DHTR1BHTR1AHTR1FHTR2A | |
| SCHEMBL8067580 | 0.81 | HTR1D (1.00) | HTR1DHTR1BHTR1AHTR1FHTR2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0636623-B1 | Indole derivatives as 5-HT1- like agonists | ASTRAZENECA AB (SE) | 2001-08-16 | — | — | EP | disclosed |
| US-5863935-A | SYNTHESIS OF INDOLE DERIVATIVES OF HETEROCYCLIC COMPOUNDS FOR TREATMENT OF HEADACHES AND MIGRAINES | ZENECA LIMITED (GB) | 1999-01-26 | — | — | US | disclosed |
| US-5466699-A | Indolyl compounds for treating migraine | BURROUGHS WELLCOME CO. (US) | 1995-11-14 | — | — | US | disclosed |
| US-5399574-A | 5-hydroxytryptamine agonists; vasoconstrictors | BURROUGHS WELLCOME CO. (US) | 1995-03-21 | — | — | US | disclosed |
| EP-0636623-A1 | Indole derivatives as 5-HT1- like agonists | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-02-01 | — | — | EP | disclosed |
| EP-0486666-A1 | THERAPEUTIC HETEROCYCLIC COMPOUNDS. | WELLCOME FOUND (GB) | 1992-05-27 | — | — | EP | disclosed |
| WO-1991018897-A1 | THERAPEUTIC HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-12 | — | — | WO | disclosed |