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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 18/20 | 0.67 |
| ▸ | ROCK2 | O75116 | 15/20 | 0.67 |
| ▸ | PARP1 | P09874 | 1/20 | 0.60 |
| ▸ | PRKACA | P17612 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3252039 | 0.99 | ROCK1 (0.68) | ROCK1ROCK2PARP1PRKACAKDM4E | |
| SCHEMBL13357658 | 0.99 | ROCK1 (0.68) | ROCK1ROCK2PARP1PRKACAKDM4E | |
| SCHEMBL13357606 | 0.85 | ROCK1 (0.70) | ROCK1ROCK2PARP1PRKACAKDM4E | |
| SCHEMBL3257615 | 0.84 | ROCK1 (0.68) | ROCK1ROCK2PARP1PRKACAKDM4E | |
| SCHEMBL13357663 | 0.83 | ROCK1 (0.59) | ROCK1ROCK2 | |
| SCHEMBL13357625 | 0.82 | ROCK1 (0.66) | ROCK1ROCK2PARP1PRKACA | |
| SCHEMBL2752587 | 0.82 | ROCK1 (0.69) | ROCK1ROCK2PARP1PRKACALMNA | |
| SCHEMBL10253197 | 0.81 | ROCK1 (0.71) | ROCK1ROCK2PRKACALMNASMN1; SMN2 | |
| SCHEMBL2554763 | 0.80 | ROCK1 (1.00) | ROCK1ROCK2PARP1 | |
| SCHEMBL2559941 | 0.79 | ROCK1 (1.00) | ROCK1ROCK2PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1732164-A | Compositions useful as inhibitors of ROCK and other protein kinases | VERTEX PHARMA (US) | 2006-02-08 | — | — | CN | disclosed |