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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.35 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.32 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.32 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | NMT1 | P30419 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27566475 | 0.96 | HRH3 (0.41) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| Bromide SCHEMBL11269806 | 0.91 | HRH3 (0.41) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| SCHEMBL6618484 | 0.89 | HRH3 (0.42) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| SCHEMBL8729648 | 0.86 | GNAO1 (0.46) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| SCHEMBL8732145 | 0.86 | GNAO1 (0.46) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| SCHEMBL8994016 | 0.86 | GNAO1 (0.46) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| SCHEMBL8728914 | 0.86 | GNAO1 (0.46) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| SCHEMBL22582330 | 0.86 | GNAO1 (0.46) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| SCHEMBL331124 | 0.83 | HRH3 (0.47) | GNAO1HRH3ITGB3ITGA2BSLC6A4 | |
| Bromide SCHEMBL7417472 | 0.81 | HRH3 (0.37) | GNAO1HRH3ITGB3ITGA2BSLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |