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 | |
|---|---|---|---|---|
| ▸ | PRKACA | P17612 | 6/20 | 0.98 |
| ▸ | PRKCG | P05129 | 5/20 | 0.98 |
| ▸ | PRKCZ | Q05513 | 5/20 | 0.98 |
| ▸ | PRKCD | Q05655 | 5/20 | 0.98 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.98 |
| ▸ | PRKACG | P22612 | 4/20 | 0.98 |
| ▸ | PRKACB | P22694 | 4/20 | 0.98 |
| ▸ | PRKD3 | O94806 | 4/20 | 0.98 |
| ▸ | PRKCB | P05771 | 4/20 | 0.98 |
| ▸ | PRKCA | P17252 | 4/20 | 0.98 |
| ▸ | PRKCH | P24723 | 4/20 | 0.98 |
| ▸ | PRKCI | P41743 | 4/20 | 0.98 |
| ▸ | PRKCE | Q02156 | 4/20 | 0.98 |
| ▸ | PRKCQ | Q04759 | 4/20 | 0.98 |
| ▸ | PRKD1 | Q15139 | 4/20 | 0.98 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.98 |
| ▸ | AKT2 | P31751 | 3/20 | 0.98 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.98 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.98 |
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 SCHEMBL3347119 | 1.00 | PRKACA (0.98) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL123495 | 0.99 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL123496 | 0.99 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL29967929 | 0.99 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Hydrochloric Acid SCHEMBL29967768 | 0.98 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Hydrochloric Acid SCHEMBL29664044 | 0.98 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Hydrochloric Acid SCHEMBL1048972 | 0.98 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Hydrochloric Acid SCHEMBL905696 | 0.98 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| Hydrochloric Acid SCHEMBL1048974 | 0.98 | PRKACA (1.00) | PRKACAPRKCGPRKCZPRKCDROCK2 | |
| SCHEMBL9636264 | 0.90 | PRKACA (0.83) | PRKACAPRKCGPRKCZPRKCDROCK2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245046-B1 | NOVEL CELL LINES EXPRESSING NAV AND METHODS USING THEM | CHROMOCELL CORP (US) | 2019-09-04 | — | — | EP | disclosed |
| US-20150253339-A1 | NOVEL CELL LINES EXPRESSING NaV AND METHODS USING THEM | CHROMOCELL CORP (US) | 2015-09-10 | — | — | US | disclosed |
| US-20100297674-A1 | NOVEL CELL LINES EXPRESSING NaV AND METHODS USING THEM | CHROMOCELL CORPORATION (US) | 2010-11-25 | — | — | US | disclosed |
| EP-2245046-A2 | NOVEL CELL LINES EXPRESSING NAV AND METHODS USING THEM | Chromocell Corporation (US) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009094218-A9 | NOVEL CELL LINES EXPRESSING NAV AND METHODS USING THEM | CHROMOCELL CORPORATION (US) | 2010-05-06 | — | — | WO | disclosed |
| WO-2009094218-A2 | NOVEL CELL LINES EXPRESSING NAV AND METHODS USING THEM | CHROMOCELL CORPORATION (US) | 2009-07-30 | — | — | WO | disclosed |