Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | DRD4 | P21917 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 5/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19612271 | 0.97 | ALDH1A1 (0.64) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL19612508 | 0.93 | ALDH1A1 (0.60) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL11593414 | 0.90 | ALDH1A1 (0.59) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL24767713 | 0.86 | ALDH1A1 (0.53) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL29769262 | 0.84 | ALDH1A1 (0.71) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL93244 | 0.84 | ALDH1A1 (0.71) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL7282918 | 0.84 | ALDH1A1 (0.71) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL3634571 | 0.84 | ALDH1A1 (0.71) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL680532 | 0.84 | ALDH1A1 (0.65) | ALDH1A1GLADRD4TSHRTP53 | |
| SCHEMBL19612303 | 0.82 | ALDH1A1 (0.51) | ALDH1A1GLADRD4TSHRTP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4269838-A | ADRENERGIC BLOCKING AGENTS; ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS | NIPPON SHINYAKU CO. LTD. (JP) | 1981-05-26 | — | — | US | disclosed |