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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 10/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL29270354 | 0.98 | KIF11 (0.52) | KIF11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1633685 | 0.96 | KIF11 (0.53) | KIF11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1635914 | 0.94 | HDAC3 (0.53) | KIF11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16468009 | 0.90 | KIF11 (0.55) | KIF11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5329346 | 0.82 | KIF11 (0.53) | KIF11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11821408 | 0.81 | KIF11 (0.50) | KIF11MAPTLMNACYP2C19 | |
| SCHEMBL19809495 | 0.81 | KIF11 (0.62) | KIF11NPSR1 | |
| SCHEMBL30806221 | 0.81 | KIF11 (0.46) | KIF11HDAC3HDAC4HDAC1HDAC7 | |
| Bromide SCHEMBL11526128 | 0.81 | KIF11 (0.46) | KIF11MAPTLMNACYP2C19 | |
| Bromide SCHEMBL9938232 | 0.80 | KIF11 (0.44) | KIF11MAPTLMNACYP2C19 |
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 | ADRA1A 1547/4885SLC6A3 4063/4885KIF11 4823/4885 |
| US-20180296588-A1 | COMBINATION THERAPY FOR TREATING VIRAL INFECTIONS | TYMP, HAVCR2, HPRT1 | ADRA1A 3763/4885SLC6A3 2299/4885KIF11 4174/4885 |
| US-20140142033-A1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | FKBP1A, CHP1, FKBP3 | ADRA1A 1547/4885SLC6A3 4063/4885KIF11 4823/4885 |
“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.