Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 10/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ESRRB | O95718 | 1/20 | 0.33 |
| ▸ | ESRRG | P62508 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7191968 | 0.79 | ADRB2 (0.53) | ADRB2ADRB1SLC6A2SLC6A4 | |
| Meluadrine SCHEMBL120043 | 0.72 | ADRB2 (0.65) | ESR1ADRB2ADRB1SLC6A2SLC6A4 | |
| Meluadrine SCHEMBL29508537 | 0.72 | ADRB2 (0.65) | ESR1ADRB2ADRB1SLC6A2SLC6A4 | |
| Meluadrine SCHEMBL250026 | 0.72 | ADRB2 (0.65) | ESR1ADRB2ADRB1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL6473077 | 0.71 | ADRB2 (0.50) | ESR1ADRB2ADRB1SLC6A2SLC6A3 | |
| SCHEMBL8469426 | 0.69 | ADRB2 (0.51) | ADRB2ADRB1 | |
| SCHEMBL5592508 | 0.69 | PDK1 (0.38) | ESR1HSD17B10PDK1PDK2PDK3 | |
| SCHEMBL4627723 | 0.69 | ADRB1 (0.49) | ESR1ADRB2ADRB1SLC6A2SLC6A4 | |
| SCHEMBL69021 | 0.68 | ESR1 (0.63) | ESR1HSD17B10TTR | |
| SCHEMBL30234474 | 0.68 | ESR1 (0.63) | ESR1HSD17B10TTR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3131582-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2017-02-22 | — | — | EP | disclosed |
| WO-2015160787-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-10-22 | — | — | WO | disclosed |
| EP-2651932-A1 | BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| EP-2651891-A1 | BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080457-A1 | BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012080456-A1 | BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |
| EP-2401275-A1 | NOVEL BRONCHODILATING DIAZAHETEROARYLS | Respiratorius AB (SE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097410-A1 | NOVEL BRONCHODILATING DIAZAHETEROARYLS | RESPIRATORIUS AB (SE) | 2010-09-02 | — | — | WO | disclosed |
| WO-2007011290-A1 | Bronchorelaxing agents based on indol- and isoquinoline derivatives | RESPIRATORIUS AB (SE) | 2007-01-25 | — | — | WO | disclosed |