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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 14/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7877545 | 0.81 | ACHE (0.51) | ACHEEPHX1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7877530 | 0.80 | ACHE (0.50) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL8769630 | 0.79 | ACHE (0.56) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL337339 | 0.76 | ACHE (0.53) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL8195570 | 0.76 | ACHE (0.53) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL8645448 | 0.76 | ACHE (0.53) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL28538468 | 0.75 | ACHE (0.60) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL3627549 | 0.73 | ACHE (0.58) | ACHEEPHX1ALDH1A1 | |
| Bromide SCHEMBL7873157 | 0.72 | EPHX1 (0.35) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL3645511 | 0.72 | EPHX2 (0.53) | ACHE |
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 |