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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.38 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.38 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 7/20 | 0.53 |
| ▸ | NOS1 | P29475 | 7/20 | 0.53 |
| ▸ | NOS2 | P35228 | 5/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | QRFPR | Q96P65 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27447143 | 0.98 | NOS3 (0.54) | NOS3NOS1NOS2TAAR1QRFPR | |
| Hydrochloric Acid SCHEMBL9213909 | 0.97 | NOS3 (0.55) | NOS3NOS1NOS2TAAR1QRFPR | |
| SCHEMBL6962091 | 0.74 | NOS3 (0.52) | NOS3NOS1NOS2CYP2C19 | |
| SCHEMBL5378871 | 0.72 | NOS1 (0.64) | NOS3NOS1NOS2 | |
| SCHEMBL5378876 | 0.72 | NOS1 (0.64) | NOS3NOS1NOS2 | |
| Bromide SCHEMBL6966430 | 0.70 | TAAR1 (0.45) | TAAR1ADRA2AKDM4EALDH1A1HTR1A | |
| SCHEMBL27447144 | 0.68 | TAAR1 (0.46) | TAAR1ADRA2AKDM4EALDH1A1HTR1A | |
| SCHEMBL1544143 | 0.67 | — | — | |
| SCHEMBL9054880 | 0.67 | HPGD (0.55) | TAAR1SLC6A2KMT2ATDP1MEN1 | |
| SCHEMBL9596201 | 0.67 | GRIN2B (0.68) | ADRA2AADRA2BSLC6A2HTR3AKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0713483-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | Astra Aktiebolag (SE) | 1996-05-29 | — | — | EP | claimed |
| WO-1995005363-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRA AKTIEBOLAG (SE) | 1995-02-23 | — | — | WO | claimed |
| 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 |