Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7306245 | 0.87 | ALDH1A1 (0.51) | ALDH1A1GLATDP1DRD4TP53 | |
| SCHEMBL730659 | 0.86 | ALDH1A1 (0.60) | ALDH1A1GLATDP1DRD4TP53 | |
| SCHEMBL7317949 | 0.84 | ALDH1A1 (0.49) | ALDH1A1GLATDP1DRD4TP53 | |
| SCHEMBL7317944 | 0.84 | ALDH1A1 (0.48) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL10806941 | 0.84 | ALDH1A1 (0.61) | ALDH1A1GLATDP1DRD4TP53 | |
| SCHEMBL11819872 | 0.82 | ALDH1A1 (0.67) | ALDH1A1GLATDP1DRD4TP53 | |
| SCHEMBL10843286 | 0.79 | ALDH1A1 (0.51) | ALDH1A1GLATDP1DRD4TP53 | |
| SCHEMBL10846097 | 0.79 | IDO1 (0.50) | ALDH1A1GLATDP1ADRA2CMAPT | |
| SCHEMBL11511065 | 0.79 | ALDH1A1 (0.51) | ALDH1A1GLATDP1DRD4TP53 | |
| SCHEMBL7315191 | 0.79 | ALDH1A1 (0.51) | ALDH1A1GLATDP1TP53TSHR |
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-4258062-A | ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-03-24 | — | — | US | disclosed |
| US-4171370-A | Phenoxy-amino-propanols | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-10-16 | — | — | US | disclosed |