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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.69 |
| ▸ | NOS1 | P29475 | 4/20 | 0.69 |
| ▸ | NOS2 | P35228 | 3/20 | 0.69 |
| ▸ | QRFPR | Q96P65 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9037888 | 0.99 | NOS3 (0.68) | NOS3NOS1NOS2QRFPR | |
| Hydrochloric Acid SCHEMBL9212822 | 0.98 | NOS3 (0.67) | NOS3NOS1NOS2QRFPR | |
| Bromide SCHEMBL6962685 | 0.88 | NOS3 (0.66) | NOS3NOS1NOS2QRFPR | |
| SCHEMBL9040771 | 0.87 | NOS3 (0.65) | NOS3NOS1NOS2QRFPR | |
| Bromide SCHEMBL6966297 | 0.85 | NOS1 (0.80) | NOS3NOS1NOS2QRFPR | |
| SCHEMBL9038075 | 0.83 | NOS1 (0.80) | NOS3NOS1NOS2QRFPR | |
| Bromide SCHEMBL6967199 | 0.83 | NOS3 (0.69) | NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL9220217 | 0.82 | NOS1 (0.78) | NOS3NOS1NOS2QRFPR | |
| SCHEMBL7597758 | 0.82 | NOS1 (0.65) | NOS3NOS1NOS2QRFPR | |
| SCHEMBL9037830 | 0.81 | NOS3 (0.68) | NOS3NOS1NOS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |