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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 3/20 | 0.49 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7531636 | 0.97 | LPL (0.51) | LPLLIPGKCNH2PPARGPPARA | |
| SCHEMBL11650730 | 0.91 | LPL (0.56) | LPLLIPGKCNH2PPARGPPARA | |
| Bromide SCHEMBL17009648 | 0.88 | CYP3A4 (0.44) | DRD2OPRM1DRD3OPRD1OPRK1 | |
| Bromide SCHEMBL5079436 | 0.87 | PPARA (0.41) | LPLLIPGKCNH2PPARGPPARA | |
| SCHEMBL5081070 | 0.85 | PPARA (0.42) | LPLLIPGKCNH2PPARGPPARA | |
| Bromide SCHEMBL5007355 | 0.82 | MAOA (0.50) | KCNH2OPRK1TDP1 | |
| Hexane SCHEMBL7758441 | 0.82 | CYP3A4 (0.60) | TDP1SIGMAR1 | |
| Bromide SCHEMBL9762632 | 0.81 | LTA4H (0.42) | TDP1 | |
| SCHEMBL13908985 | 0.81 | HTR2A (0.54) | LPLLIPGKCNH2TDP1 | |
| SCHEMBL7530888 | 0.81 | HTR2A (0.54) | LPLLIPGKCNH2TDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2670731-B1 | POSITIVE ALLOSTERIC MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AND USES THEREOF. | BIONOMICS LTD (AU) | 2016-05-25 | — | — | EP | disclosed |
| US-20150246029-A1 | Positive Allosteric Modulators and Uses Thereof | MERCK SHARP & DOHME CORP. | 2015-09-03 | — | — | US | disclosed |
| US-9062013-B2 | Positive allosteric modulators of the α7 nicotinic acetylcholine receptor and uses thereof | BIONOMICS LIMITED (AU) | 2015-06-23 | — | — | US | disclosed |
| US-20140031395-A1 | Positive Allosteric Modulators of the Alpha 7 Nicotinic Acetylcholine Receptor and uses Thereof | BIONOMICS LIMITED (AU) | 2014-01-30 | — | — | US | disclosed |
| EP-2670731-A1 | POSITIVE ALLOSTERIC MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AND USES THEREOF. | Bionomics Limited (AU) | 2013-12-11 | — | — | EP | disclosed |
| WO-2012103583-A1 | POSITIVE ALLOSTERIC MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AND USES THEREOF. | BIONOMICS LIMITED (AU) | 2012-08-09 | — | — | WO | disclosed |
| EP-0337640-B1 | PROCESS FOR PRODUCING SUBSTITUTED VINYL PYRIDINES | Takeda Chemical Industries, Ltd. (JP) | 1993-08-11 | — | — | EP | disclosed |
| EP-0337640-A1 | Process for producing substituted vinyl pyridines | Takeda Chemical Industries, Ltd. (JP) | 1989-10-18 | — | — | 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 (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-20150246029-A1 | Positive Allosteric Modulators and Uses Thereof | CHRNA7, CHRNA5, CHRNA4 | SIGMAR1 274/4885LPL 3227/4885LIPG 4624/4885 |
| US-20140031395-A1 | Positive Allosteric Modulators of the Alpha 7 Nicotinic Acetylcholine Receptor and uses Thereof | CHRNA7, CHRNA5, CHRNA10 | SIGMAR1 229/4885LPL 3234/4885LIPG 4510/4885 |
“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.