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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7486721 | 0.89 | CYP2A6 (0.36) | CYP2A6CA1CA2CYP19A1PGR | |
| Bromide SCHEMBL7437187 | 0.75 | F2 (0.44) | CYP2A6CA1CA2CYP19A1PLAU | |
| Bromide SCHEMBL7490318 | 0.74 | CA1 (0.41) | CYP2A6CA1CA2CYP19A1PLAU | |
| Hydrochloric Acid SCHEMBL8471384 | 0.70 | TNKS (0.34) | CYP2A6NOS3NOS1NOS2MAOA | |
| SCHEMBL3537582 | 0.70 | MAOB (0.58) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL177345 | 0.69 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL30497735 | 0.67 | CHEK2 (0.44) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL6014124 | 0.67 | CYP2A6 (0.60) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL12356972 | 0.66 | CYP2A6 (0.49) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| Bromide SCHEMBL7491181 | 0.66 | CDC7 (0.38) | CA1CA2PLAUF2PLG |
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 |
|---|---|---|---|---|---|---|---|
| EP-0918768-B1 | AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS | C & C RES LAB (KR) | 2002-01-09 | — | — | EP | disclosed |
| US-6201006-B1 | ANTICOAGULANTS | C & C RESEARCH LABORATORIES (KR) | 2001-03-13 | — | — | US | disclosed |