Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11751277 | 0.80 | ESR1 (0.45) | ESR1ADRB2ADRB1ADRA2AADRA2B | |
| SCHEMBL9559446 | 0.79 | ADRB2 (0.68) | ADRB2ADRB1OPRK1HIF1ACYP2D6 | |
| Meluadrine SCHEMBL250026 | 0.78 | ADRB2 (0.65) | ESR1ADRB2ADRB1OPRK1HIF1A | |
| Meluadrine SCHEMBL120043 | 0.78 | ADRB2 (0.65) | ESR1ADRB2ADRB1OPRK1HIF1A | |
| Meluadrine SCHEMBL29508537 | 0.78 | ADRB2 (0.65) | ESR1ADRB2ADRB1OPRK1HIF1A | |
| SCHEMBL4627723 | 0.75 | ADRB1 (0.49) | ESR1ADRB2ADRB1ADRA2AADRA2B | |
| SCHEMBL7152584 | 0.74 | ESR1 (0.62) | ESR1ADRB2ADRB1ADRA2AADRA2B | |
| SCHEMBL7153280 | 0.74 | ADRB2 (0.62) | ADRB2ADRB1HIF1ACYP2D6HSD17B10 | |
| SCHEMBL7153283 | 0.74 | ADRB2 (0.62) | ADRB2ADRB1HIF1ACYP2D6HSD17B10 | |
| Meluadrine SCHEMBL7317575 | 0.73 | ADRB2 (0.57) | ESR1ADRB2ADRB1OPRK1HIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10152434-A | — | — | None | — | — | JP | 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 |
| JP-H10152434-A | PERCUTANEOUS ABSORPTION TYPE PREPARATION | NITTO DENKO CORP | 1998-06-09 | — | — | JP | disclosed |