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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | APOB | P04114 | 1/20 | 0.42 |
| ▸ | MTTP | P55157 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8186636 | 0.99 | GRIN2B (0.53) | GRIN2BFYNAPOBMTTPNPC1 | |
| SCHEMBL8185374 | 0.91 | FYN (0.51) | GRIN2BFYNAPOBMTTPNPC1 | |
| SCHEMBL8188026 | 0.89 | GRIN2B (0.41) | GRIN2BNPC1LMNAMAPTNFKB1 | |
| SCHEMBL8308185 | 0.85 | MTTP (0.49) | FYNAPOBMTTPNPC1LMNA | |
| SCHEMBL8177517 | 0.82 | ACKR3 (0.40) | GRIN2BNPC1LMNAMAPTNFKB1 | |
| SCHEMBL8189517 | 0.82 | SMO (0.43) | FYNAPOBMTTPNPC1LMNA | |
| SCHEMBL8177616 | 0.82 | GRIN2B (0.40) | GRIN2BNPC1LMNAMAPTNFKB1 | |
| SCHEMBL8186612 | 0.81 | GRIN2B (0.55) | GRIN2BFYNAPOBMTTPNPC1 | |
| SCHEMBL8177602 | 0.80 | MTTP (0.41) | FYNAPOBMTTPNPC1LMNA | |
| SCHEMBL8307619 | 0.80 | MTTP (0.41) | FYNAPOBMTTPNPC1LMNA |
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-0759027-B1 | BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE | ASTRA AB (SE) | 1999-08-04 | — | — | EP | disclosed |
| US-5807886-A | Bicyclic amidine dervatives as inhibitors of nitric oxide synthetase | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |
| EP-0759027-A1 | BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE | Astra Aktiebolag (SE) | 1997-02-26 | — | — | EP | disclosed |
| WO-1997006158-A1 | BICYCLIC AMIDINE DERIVATIVES USEFUL IN THERAPY | ASTRA AKTIEBOLAG (SE) | 1997-02-20 | — | — | WO | disclosed |
| WO-1996001817-A1 | BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE | ASTRA AKTIEBOLAG (SE) | 1996-01-25 | — | — | WO | disclosed |