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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.46 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 3/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.46 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
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 SCHEMBL10984916 | 0.93 | SCN1A (0.45) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| SCHEMBL2987922 | 0.88 | SCN1A (0.57) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| Bromide SCHEMBL11623452 | 0.84 | SCN1A (0.38) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| SCHEMBL28319843 | 0.83 | LMNA (0.43) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| Phosphine SCHEMBL27817567 | 0.83 | CHRM2 (0.54) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| SCHEMBL9018748 | 0.82 | SCN1A (0.39) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| SCHEMBL28003887 | 0.82 | ZDHHC2 (0.42) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| SCHEMBL27610050 | 0.82 | ZDHHC2 (0.42) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| SCHEMBL13963989 | 0.81 | KCNN4 (0.53) | SCN1ASCN2ASCN3ALMNACYP1A2 | |
| SCHEMBL27262733 | 0.81 | CHRM2 (0.55) | SCN1ASCN2ASCN3ALMNACYP1A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3461835-A1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | ContraVir Pharmaceuticals, Inc. (US) | 2019-04-03 | — | — | EP | disclosed |
| EP-2651965-B1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | CONTRAVIR PHARMACEUTICALS INC (US) | 2018-12-12 | — | — | EP | disclosed |
| US-20180296588-A1 | COMBINATION THERAPY FOR TREATING VIRAL INFECTIONS | CONTRAVIR PHARMACEUTICALS, INC. | 2018-10-18 | — | — | US | disclosed |
| WO-2018191579-A1 | COMBINATION THERAPY FOR TREATING VIRAL INFECTIONS | CONTRAVIR PHARMACEUTICALS, INC. (US) | 2018-10-18 | — | — | WO | disclosed |
| WO-2018106928-A1 | TREATMENT AND PREVENTION OF HBV DISEASES BY CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACIDES 1 AND 3 | CONTRAVIR PHARMACEUTICALS, INC. (US) | 2018-06-14 | — | — | WO | disclosed |
| US-9714271-B2 | Cyclosporine analogue molecules modified at amino acid 1 and 3 | CONTRAVIR PHARMACEUTICALS, INC. (US) | 2017-07-25 | — | — | US | disclosed |
| US-20160207961-A1 | Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 | ACHILLE LIFE SCIENCES LIMITED (GB) | 2016-07-21 | — | — | US | disclosed |
| US-9200038-B2 | Cyclosporine analogue molecules modified at amino acid 1 and 3 | CICLOFILIN PHARMACEUTICALS CORP. (CA) | 2015-12-01 | — | — | US | disclosed |
| US-20140142033-A1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | ISOTECHNIKA PHARMA INC. (CA) | 2014-05-22 | — | — | US | disclosed |
| EP-2651965-A1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | Isotechnika Pharma Inc. (CA) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012079172-A1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | ISOTECHNIKA PHARMA INC. (CA) | 2012-06-21 | — | — | 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-20160207961-A1 | Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 | FKBP1A, CHP1, FKBP3 | SIGMAR1 4321/4885CHRM2 4413/4885CHRM3 4136/4885 |
| US-20180296588-A1 | COMBINATION THERAPY FOR TREATING VIRAL INFECTIONS | TYMP, HAVCR2, HPRT1 | SIGMAR1 4053/4885CHRM2 4765/4885CHRM3 4674/4885 |
| US-20140142033-A1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | FKBP1A, CHP1, FKBP3 | SIGMAR1 4321/4885CHRM2 4413/4885CHRM3 4136/4885 |
“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.