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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ARG1 | P05089 | 1/20 | 0.60 |
| ▸ | ARG2 | P78540 | 1/20 | 0.60 |
| ▸ | NOS2 | P35228 | 4/20 | 0.53 |
| ▸ | NOS1 | P29475 | 2/20 | 0.53 |
| ▸ | NOS3 | P29474 | 1/20 | 0.53 |
| ▸ | GSR | P00390 | 1/20 | 0.43 |
| ▸ | BHMT | Q93088 | 6/20 | 0.41 |
| ▸ | BHMT2 | Q9H2M3 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5505432 | 1.00 | ARG1 (0.60) | ARG1ARG2NOS2NOS1NOS3 | |
| SCHEMBL296784 | 0.98 | ARG1 (0.62) | ARG1ARG2NOS2NOS1NOS3 | |
| SCHEMBL9821119 | 0.98 | ARG1 (0.62) | ARG1ARG2NOS2NOS1NOS3 | |
| SCHEMBL110108 | 0.98 | ARG1 (0.62) | ARG1ARG2NOS2NOS1NOS3 | |
| Hydrochloric Acid SCHEMBL9815370 | 0.96 | ARG1 (0.60) | ARG1ARG2NOS2NOS1NOS3 | |
| Hydrochloric Acid SCHEMBL17633808 | 0.96 | ARG1 (0.60) | ARG1ARG2NOS2NOS1NOS3 | |
| Hydrochloric Acid SCHEMBL5494298 | 0.96 | ARG1 (0.60) | ARG1ARG2NOS2NOS1NOS3 | |
| Hydrochloric Acid SCHEMBL8472319 | 0.96 | ARG1 (0.60) | ARG1ARG2NOS2NOS1NOS3 | |
| Cysteamine SCHEMBL11584063 | 0.90 | ARG1 (0.55) | ARG1ARG2NOS2NOS1NOS3 | |
| SCHEMBL17361240 | 0.86 | ARG1 (0.69) | ARG1ARG2NOS2NOS1NOS3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39576-E1 | Enzyme inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2007-04-17 | — | — | US | disclosed |
| EP-0957087-B1 | Intermediates useful in the preparation of enzyme inhibitors | WELLCOME FOUND (GB) | 2002-12-04 | — | — | EP | disclosed |
| EP-0765308-B1 | ENZYME INHIBITORS | WELLCOME FOUND (GB) | 2000-04-05 | — | — | EP | disclosed |
| EP-0957087-A2 | Enzyme inhibitors | THE WELLCOME FOUNDATION LIMITED (GB) | 1999-11-17 | — | — | EP | disclosed |
| US-5889056-A | OF NITRIC OXIDE SYNTHASE; HYPOTENSIVE AGENT, ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS | GLAXO WELLSOME INC. (US) | 1999-03-30 | — | — | US | disclosed |
| EP-0765308-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995034534-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-12-21 | — | — | WO | disclosed |