Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 7/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.38 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11633784 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GLAHTR2ATP53CYP3A4 | |
| SCHEMBL10505249 | 0.79 | ALDH1A1 (0.46) | ALDH1A1GLAHTR2ATP53CYP3A4 | |
| SCHEMBL11067767 | 0.78 | CYP2A6 (0.47) | ALDH1A1GLAHTR2ATP53CYP3A4 | |
| SCHEMBL11383895 | 0.77 | ALDH1A1 (0.41) | ALDH1A1GLAHTR2ATP53CYP3A4 | |
| SCHEMBL1140449 | 0.75 | ALDH1A1 (0.62) | ALDH1A1GLAHTR2ATP53CYP3A4 | |
| SCHEMBL11071096 | 0.75 | ALDH1A1 (0.45) | ALDH1A1GLA | |
| SCHEMBL7962044 | 0.75 | ALDH1A1 (0.53) | ALDH1A1GLAHTR2ATP53CYP3A4 | |
| SCHEMBL2997257 | 0.74 | ALDH1A1 (0.53) | ALDH1A1GLAHTR2ATP53CYP3A4 | |
| SCHEMBL1351843 | 0.74 | ALDH1A1 (0.53) | ALDH1A1GLAHTR2ATP53CYP3A4 | |
| SCHEMBL11068196 | 0.74 | HTR2A (0.67) | HTR2AHTR1ATDP1DRD2 |
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-4468520-A | BETA-BLOCKERS | BOEHRINGER MANNHEIM GMBH (DE) | 1984-08-28 | — | — | US | disclosed |
| EP-0045911-A1 | Propanol amine, derivatives, process for their preparation and medicines containing these compounds | Roche Diagnostics GmbH (DE) | 1982-02-17 | — | — | EP | disclosed |