Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
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 SCHEMBL5559706 | 0.90 | MAPT (0.46) | CNR2PIK3CAHTTALDH1A1GAA | |
| Bromide SCHEMBL5565800 | 0.88 | HTT (0.48) | PIK3CAHTTALDH1A1KDM4ELMNA | |
| Bromide SCHEMBL5565848 | 0.88 | CNR2 (0.46) | CNR2PIK3CAHTTALDH1A1LMNA | |
| Bromide SCHEMBL5565101 | 0.85 | HTT (0.43) | HTTALDH1A1KDM4ELMNAPIK3CB | |
| Bromide SCHEMBL5560418 | 0.85 | HTT (0.43) | PIK3CAHTTALDH1A1KDM4ELMNA | |
| Bromide SCHEMBL5565311 | 0.83 | HTT (0.41) | CNR2HTTALDH1A1LMNAPIK3CB | |
| Hydrochloric Acid SCHEMBL5565412 | 0.83 | ALDH1A1 (0.47) | HTTALDH1A1GAAKDM4ELMNA | |
| Hydrochloric Acid SCHEMBL5559797 | 0.83 | MAPT (0.41) | PIK3CAHTTALDH1A1GAAKDM4E | |
| Bromide SCHEMBL5560141 | 0.83 | MAPT (0.41) | CNR2HTTALDH1A1GAAKDM4E | |
| Bromide SCHEMBL5561271 | 0.83 | CNR2 (0.46) | CNR2PIK3CAHTTALDH1A1GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7300932-B2 | Pyrrolo[1,2-b]pyridazine derivatives | JAPAN TOBACCO INC. (JP) | 2007-11-27 | — | — | US | disclosed |
| EP-1653969-A4 | PYRROLO 1,2-B PYRIDAZINE DERIVATIVES | JAPAN TOBACCO INC (JP) | 2006-12-20 | — | — | EP | disclosed |
| EP-1653969-A2 | PYRROLO 1,2-B PYRIDAZINE DERIVATIVES | Japan Tabacco Inc. (JP) | 2006-05-10 | — | — | EP | disclosed |
| US-20050070545-A1 | For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism | TULARIK INC. (US) | 2005-03-31 | — | — | US | disclosed |
| WO-2005013907-A2 | PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES | JAPAN TOBACCO INC. (JP) | 2005-02-17 | — | — | WO | 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-20050070545-A1 | For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism | PC, ACACB, ACAT1 | CNR2 3754/4885PIK3CA 1240/4885HTT 894/4885 |
“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.