Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.73 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.73 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.73 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.69 |
| ▸ | NPY1R | P25929 | 1/20 | 0.69 |
| ▸ | NPY2R | P49146 | 1/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.69 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CNR1 | P21554 | 1/20 | 0.64 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.64 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL11653263 | 0.89 | ADRB1 (0.71) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| SCHEMBL11651026 | 0.88 | ADRB1 (0.70) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| Hydrochloric Acid SCHEMBL11656696 | 0.87 | ADRB2 (0.68) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| SCHEMBL11647591 | 0.87 | ADRB1 (0.68) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| Metoprolol SCHEMBL1561123 | 0.84 | ADRB1 (1.00) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| (S)-Metoprolol SCHEMBL121589 | 0.84 | ADRB1 (1.00) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| (R)-Metoprolol SCHEMBL40918 | 0.84 | ADRB1 (1.00) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| Metoprolol SCHEMBL4093 | 0.84 | ADRB1 (1.00) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| SCHEMBL10364314 | 0.84 | CYP2D6 (0.58) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 | |
| (S)-Metoprolol SCHEMBL3123844 | 0.84 | ADRB2 (0.88) | ADRB1ADRB2ADRA1ACYP2D6NR3C1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7786119-B2 | Drug conjugates of ion channel modulating compounds | CARDIOME PHARMA CORP. (CA) | 2010-08-31 | — | — | US | disclosed |
| US-7786119-B2 | Drug conjugates of ion channel modulating compounds | CARDIOME PHARMA CORP. (CA) | 2010-08-31 | — | — | US | disclosed |