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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6953360 | 0.87 | TACR3 (0.36) | TACR3TACR2OPRM1GAADHODH | |
| SCHEMBL7157495 | 0.84 | TACR3 (0.43) | TACR3TACR2OPRM1GAADHODH | |
| SCHEMBL6951612 | 0.83 | TACR3 (0.47) | TACR3TACR2OPRM1DHODHKCNH2 | |
| Hydrochloric Acid SCHEMBL7077944 | 0.82 | TACR3 (0.47) | TACR3TACR2OPRM1DHODHKCNH2 | |
| SCHEMBL6340547 | 0.82 | TACR3 (0.40) | TACR3TACR2OPRM1DHODHKCNH2 | |
| SCHEMBL7076610 | 0.80 | DHODH (0.48) | TACR3TACR2OPRM1GAADHODH | |
| SCHEMBL7159967 | 0.80 | DHODH (0.46) | TACR3TACR2OPRM1DHODHCYP2C9 | |
| SCHEMBL7165599 | 0.78 | TACR3 (0.43) | TACR3TACR2OPRM1DHODHKCNH2 | |
| SCHEMBL7076609 | 0.78 | DHODH (0.43) | TACR3TACR2OPRM1DHODHKCNH2 | |
| SCHEMBL6582324 | 0.78 | DHODH (0.42) | TACR3TACR2OPRM1DHODHKCNH2 |
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 |