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 | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 2/20 | 0.50 |
| ▸ | WNT3A | P56704 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | RBP4 | P02753 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29365642 | 0.98 | CTNNB1 (0.51) | CTNNB1WNT3APTPN1GSK3BTLR7 | |
| SCHEMBL4366167 | 0.98 | CTNNB1 (0.51) | CTNNB1WNT3APTPN1GSK3BTLR7 | |
| SCHEMBL11920844 | 0.82 | CTNNB1 (0.51) | CTNNB1WNT3ATLR7CNR2NFE2L2 | |
| Hydrochloric Acid SCHEMBL23354263 | 0.81 | CTNNB1 (0.50) | CTNNB1WNT3ATLR7CNR2NFE2L2 | |
| Hydrochloric Acid SCHEMBL29978860 | 0.81 | CTNNB1 (0.50) | CTNNB1WNT3ATLR7CNR2NFE2L2 | |
| Hydrochloric Acid SCHEMBL1981601 | 0.81 | CTNNB1 (0.50) | CTNNB1WNT3ATLR7CNR2NFE2L2 | |
| SCHEMBL15988700 | 0.79 | CTNNB1 (0.58) | CTNNB1WNT3ACNR2NFE2L2HCRTR1 | |
| Bromide SCHEMBL4181789 | 0.78 | CTNNB1 (0.47) | CTNNB1WNT3APTPN1GSK3BMEN1 | |
| SCHEMBL5325529 | 0.78 | CTNNB1 (0.46) | CTNNB1WNT3ATLR7CNR2NFE2L2 | |
| SCHEMBL286833 | 0.78 | KDM4E (0.55) | CTNNB1WNT3ATLR7CNR2NFE2L2 |
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-20090286767-A1 | SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES | NEUROGEN CORPORATION (US) | 2009-11-19 | — | — | US | disclosed |
| US-7488740-B2 | Substituted quinolin-4-ylamine analogues | NEUROGEN CORPORATION (US) | 2009-02-10 | — | — | US | disclosed |
| EP-1644372-A2 | SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES | NEUROGEN CORPORATION (US) | 2006-04-12 | — | — | EP | disclosed |
| US-20050070547-A1 | Substituted quinolin-4-ylamine analogues | NEUROGEN CORPORATION | 2005-03-31 | — | — | US | disclosed |
| WO-2005007652-A2 | SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES | NEUROGEN CORPORATION (US) | 2005-01-27 | — | — | 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 (2 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-20090286767-A1 | SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES | PIGS, HRH4, GPR52 | CTNNB1 3462/4885WNT3A 2667/4885PTPN1 2836/4885 |
| US-20050070547-A1 | Substituted quinolin-4-ylamine analogues | PIGS, HRH4, GPR52 | CTNNB1 3475/4885WNT3A 2651/4885PTPN1 2788/4885 |
“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.