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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 6/20 | 0.47 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.41 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9037784 | 0.99 | NPC1 (0.48) | NPC1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL6954658 | 0.99 | NPC1 (0.48) | NPC1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9219329 | 0.98 | NPC1 (0.47) | NPC1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| Bromide SCHEMBL6968550 | 0.97 | SIGMAR1 (0.48) | NPC1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL9037442 | 0.96 | SIGMAR1 (0.49) | NPC1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| Bromide SCHEMBL6963833 | 0.95 | SMN1; SMN2 (0.47) | NPC1CYP1A2CYP2C9CYP2C19NOS3 | |
| Hydrochloric Acid SCHEMBL9222550 | 0.94 | SIGMAR1 (0.48) | NPC1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL9219873 | 0.94 | SMN1; SMN2 (0.48) | NPC1CYP1A2CYP2C9CYP2C19NOS3 | |
| Hydrochloric Acid SCHEMBL9220884 | 0.93 | SMN1; SMN2 (0.47) | NPC1CYP1A2CYP2C9CYP2C19NOS3 | |
| SCHEMBL6961629 | 0.90 | NPC1 (0.45) | NPC1CYP1A2CYP2C9CYP2C19SIGMAR1 |
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-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 |