Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 8/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | DRD2 | P14416 | 2/20 | 0.62 |
| ▸ | DRD1 | P21728 | 2/20 | 0.62 |
| ▸ | DRD4 | P21917 | 2/20 | 0.62 |
| ▸ | DRD3 | P35462 | 2/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.55 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.55 |
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 SCHEMBL10772911 | 0.98 | ADRB2 (0.66) | ADRB2KDM4ETDP1ALDH1A1DRD2 | |
| SCHEMBL10585937 | 0.86 | ADRB2 (0.61) | ADRB2KDM4ETDP1DRD2DRD1 | |
| SCHEMBL13082245 | 0.85 | ADRB2 (0.64) | ADRB2KDM4ETDP1DRD2DRD1 | |
| SCHEMBL16550063 | 0.85 | ADRB2 (0.73) | ADRB2KDM4ETDP1ALDH1A1DRD2 | |
| SCHEMBL17950815 | 0.85 | ADRB2 (0.70) | ADRB2KDM4ETDP1ALDH1A1DRD2 | |
| SCHEMBL17950816 | 0.82 | TLR4 (0.65) | ADRB2KDM4ETDP1DRD2DRD1 | |
| SCHEMBL11534864 | 0.81 | MTNR1A (0.58) | ADRB2ALDH1A1DRD2DRD1DRD4 | |
| SCHEMBL11364907 | 0.79 | ADRB2 (0.66) | ADRB2KDM4ETDP1DRD2DRD1 | |
| SCHEMBL11534872 | 0.79 | ALDH1A1 (0.79) | ADRB2TDP1ALDH1A1DRD2DRD1 | |
| SCHEMBL22279186 | 0.77 | ADRB2 (0.81) | ADRB2KDM4ETDP1DRD2DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022117893-A2 | COMBINATION THERAPY FOR PATIENTS HAVING ACUTE AND/OR PERSISTENT DYSPNEA | S-FORM PHARMA (BE) | 2022-06-09 | — | — | WO | disclosed |
| CN-106892858-A | A kind of carvidilol dihydric phosphate novel crystal forms | 上海科胜药物研发有限公司 | 2017-06-27 | — | — | CN | disclosed |