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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 8/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7877548 | 0.84 | ALDH1A1 (0.40) | EPHX1ACHERAB9ASMN1; SMN2CTSK | |
| Hydrochloric Acid SCHEMBL7877535 | 0.83 | ALDH1A1 (0.39) | EPHX1ACHERAB9ASMN1; SMN2CTSK | |
| Bromide SCHEMBL8781004 | 0.81 | EPHX1 (0.34) | EPHX1ACHERAB9ASMN1; SMN2CTSK | |
| Hydrochloric Acid SCHEMBL8780964 | 0.75 | NPC1 (0.36) | EPHX1ACHERAB9ASMN1; SMN2CTSK | |
| Bromide SCHEMBL7873155 | 0.72 | ACHE (0.46) | EPHX1ACHEALDH1A1 | |
| SCHEMBL8195574 | 0.72 | EPHX1 (0.42) | EPHX1ACHERAB9ASMN1; SMN2CTSK | |
| SCHEMBL5622460 | 0.66 | EPHX1 (0.48) | EPHX1ACHERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL8382659 | 0.65 | EPHX1 (0.52) | EPHX1ACHERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL2551779 | 0.64 | EPHX1 (0.50) | EPHX1ACHERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL5128756 | 0.64 | EPHX1 (0.50) | EPHX1ACHERAB9ASMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37438-E1 | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. | 2001-11-06 | — | — | US | disclosed |
| US-5866612-A | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. (US) | 1999-02-02 | — | — | US | disclosed |