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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 12/20 | 0.39 |
| ▸ | TACR2 | P21452 | 10/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6957829 | 0.84 | TACR3 (0.54) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| Hydrochloric Acid SCHEMBL6958335 | 0.83 | TACR3 (0.53) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6957439 | 0.83 | TACR3 (0.46) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| Bromide SCHEMBL5945395 | 0.78 | TRPV4 (0.53) | TACR3TACR2OPRM1TRPV4 | |
| SCHEMBL6349526 | 0.77 | TRPV4 (0.53) | TACR3TACR2OPRM1TRPV4 | |
| SCHEMBL6626342 | 0.77 | TRPV4 (0.50) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| Hydrochloric Acid SCHEMBL5945393 | 0.77 | TRPV4 (0.53) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6953405 | 0.76 | TACR3 (0.41) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| SCHEMBL6959275 | 0.76 | TACR3 (0.55) | TACR3TACR2OPRM1KCNH2TRPV4 | |
| Bromide SCHEMBL6953647 | 0.75 | TACR3 (0.34) | TACR3TACR2OPRM1KCNH2CYP3A4 |
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-1339691-A1 | NOVEL COMPOUNDS | GlaxoSmithKline S.p.A. (IT) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002044154-A1 | NOVEL COMPOUNDS | GLAXOSMITHKLINE SPA (IT) | 2002-06-06 | — | — | WO | disclosed |