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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.33 |
| ▸ | CDC42BPA | Q5VT25 | 4/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2818737 | 0.99 | ROCK1 (0.33) | ROCK2ROCK1CDC42BPACDC42BPB | |
| SCHEMBL1483313 | 0.81 | ROCK1 (0.36) | ROCK2ROCK1CDC42BPACDC42BPB | |
| Hydrochloric Acid SCHEMBL1484299 | 0.80 | ROCK1 (0.35) | ROCK2ROCK1CDC42BPACDC42BPB | |
| SCHEMBL2820232 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL668528 | 0.76 | — | — | |
| SCHEMBL668390 | 0.75 | ACHE (0.36) | — | |
| Bromide SCHEMBL668001 | 0.72 | — | — | |
| SCHEMBL2819424 | 0.72 | KCNH2 (0.36) | ROCK2ROCK1CDC42BPACDC42BPB | |
| SCHEMBL2819756 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL2820263 | 0.72 | SLC6A2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8557819-B2 | Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics | SANOFI (FR) | 2013-10-15 | — | — | US | disclosed |
| US-20120046298-A1 | DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | SANOFI-AVENTIS (FR) | 2012-02-23 | — | — | US | disclosed |
| US-8076340-B2 | Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics | SANOFI-AVENTIS (FR) | 2011-12-13 | — | — | US | disclosed |
| US-20090088440-A1 | DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | SANOFI-AVENTIS (FR) | 2009-04-02 | — | — | US | disclosed |
| US-7476674-B2 | Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics | SANOFI-AVENTIS (FR) | 2009-01-13 | — | — | US | disclosed |
| US-20080176855-A1 | DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | SANOFI-AVENTIS (FR) | 2008-07-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090088440-A1 | DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | TPMT, DHFR, S1PR5 | ROCK2 2413/4885ROCK1 1673/4885CDC42BPA 4137/4885 |
| US-20080176855-A1 | DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | TPMT, DHFR, S1PR5 | ROCK2 2413/4885ROCK1 1673/4885CDC42BPA 4137/4885 |
| US-20120046298-A1 | DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | TPMT, DHFR, S1PR5 | ROCK2 2413/4885ROCK1 1673/4885CDC42BPA 4137/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.