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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.95 |
| ▸ | MEN1 | O00255 | 2/20 | 0.95 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.95 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.95 |
| ▸ | MASP2 | O00187 | 1/20 | 0.95 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.95 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.58 |
| ▸ | NPC1 | O15118 | 6/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | TP53 | P04637 | 4/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
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 SCHEMBL118626 | 1.00 | ALDH1A1 (0.95) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| SCHEMBL30587443 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| SCHEMBL9098 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| SCHEMBL28908224 | 0.95 | ALDH1A1 (0.95) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| Fluoride SCHEMBL31379745 | 0.95 | ALDH1A1 (0.95) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| SCHEMBL16486558 | 0.95 | ALDH1A1 (0.95) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| SCHEMBL28939728 | 0.95 | ALDH1A1 (0.95) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| Water SCHEMBL7472713 | 0.95 | ALDH1A1 (0.95) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| Hydrochloric Acid SCHEMBL6120210 | 0.95 | ALDH1A1 (0.95) | ALDH1A1MEN1KMT2ANUDT1MASP2 | |
| Hydrochloric Acid SCHEMBL2761621 | 0.95 | ALDH1A1 (0.95) | ALDH1A1MEN1KMT2ANUDT1MASP2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4004016-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1977-01-18 | — | — | US | claimed |
| US-8450354-B2 | Substituted imidazo[1,2-b]pyridazine derivatives, pharmaceutical compositions, and methods of use as β-secretase inhibitors | HIGH POINT PHARMACEUTICALS, LLC (US) | 2013-05-28 | — | — | US | disclosed |
| EP-2549874-A1 | SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS | High Point Pharmaceuticals, LLC (US) | 2013-01-30 | — | — | EP | disclosed |
| US-8350039-B2 | Substituted isoquinoline derivatives, pharmaceutical compositions, and methods of use as beta-secretase inhibitors | HIGH POINT PHARMACEUTICALS, LLC (US) | 2013-01-08 | — | — | US | disclosed |
| US-20120101125-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS | HIGH POINT PHARMACEUTICALS, LLC (US) | 2012-04-26 | — | — | US | disclosed |
| US-20120101093-A1 | SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS | HIGH POINT PHARMACEUTICALS, LLC (US) | 2012-04-26 | — | — | US | disclosed |
| EP-2424866-A1 | SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS | High Point Pharmaceuticals, LLC (US) | 2012-03-07 | — | — | EP | disclosed |
| EP-2424533-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS | High Point Pharmaceuticals, LLC (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2011119465-A1 | SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS | HIGH POINT PHARMACEUTICALS, LLC (US) | 2011-09-29 | — | — | WO | disclosed |
| US-20110237570-A1 | SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS | HIGH POINT PHARMACEUTICALS, LLC (US) | 2011-09-29 | — | — | US | disclosed |
| WO-2010126745-A1 | SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS | HIGH POINT PHARMACEUTICALS, LLC (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010126743-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS | HIGH POINT PHARMACEUTICALS, LLC (US) | 2010-11-04 | — | — | 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 (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-20110237570-A1 | SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS | BACE1, BACE2, PSEN1 | HTR3A 1049/4885ALDH1A1 2437/4885MEN1 2801/4885 |
| US-20120101093-A1 | SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS | BACE1, BACE2, APP | HTR3A 2189/4885ALDH1A1 2155/4885MEN1 2911/4885 |
| US-20120101125-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS | BACE1, BACE2, APP | HTR3A 2278/4885ALDH1A1 3187/4885MEN1 3023/4885 |
“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.