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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.98 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | NAMPT | P43490 | 2/20 | 0.46 |
| ▸ | TTK | P33981 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 5/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4154686 | 0.99 | PARP1 (1.00) | PARP1ROCK2NAMPTTTKAURKB | |
| SCHEMBL30859698 | 0.99 | PARP1 (1.00) | PARP1ROCK2NAMPTTTKAURKB | |
| Hydrochloric Acid SCHEMBL4816152 | 0.98 | PARP1 (0.98) | PARP1ROCK2NAMPTTTKAURKB | |
| SCHEMBL4815090 | 0.93 | PARP1 (0.89) | PARP1ROCK2NAMPTTTKAURKB | |
| SCHEMBL4816105 | 0.88 | PARP1 (0.80) | PARP1ROCK2NAMPTRETROCK1 | |
| SCHEMBL14064731 | 0.88 | PARP1 (0.80) | PARP1ROCK2NAMPTTNKSRET | |
| SCHEMBL4815278 | 0.87 | PARP1 (0.78) | PARP1ROCK2NAMPTHTR2AHTR2C | |
| SCHEMBL27610852 | 0.85 | PARP1 (0.75) | PARP1ROCK2NAMPTHTR2AHTR2C | |
| SCHEMBL4811752 | 0.83 | PARP1 (0.72) | PARP1ROCK2NAMPTTNKSRET | |
| SCHEMBL4815181 | 0.83 | PARP1 (0.72) | PARP1ROCK2NAMPTRETROCK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7425563-B2 | Excellent poly (ADP-ribose) synthetase inhibitors; various ischemic diseases, inflammatory diseases, neurodegenerative diseases, diabetes, septic shock, cephalic injury; 1,2-Dihydro-4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-1-oxoisoquinoline | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2008-09-16 | — | — | US | disclosed |
| US-20060173039-A1 | 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2006-08-03 | — | — | US | disclosed |
| EP-1544194-A1 | 4-(SUBSTITUTED ARYL)-5-HYDROXYISOQUINOLINONE DERIVATIVE | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2005-06-22 | — | — | EP | 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 (1 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-20060173039-A1 | 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative | PARP1, PARP11, PARP4 | PARP1 1/4885ROCK2 3947/4885NAMPT 368/4885 |
“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.