Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11546850 | 0.94 | ALDH1A1 (0.52) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11548958 | 0.89 | POLB (0.57) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11548610 | 0.88 | POLB (0.47) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11546206 | 0.85 | OPRM1 (0.52) | OPRM1OPRD1OPRK1KCNH2GRIN2D | |
| SCHEMBL11547011 | 0.84 | POLB (0.42) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11549384 | 0.83 | POLB (0.47) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11552589 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL11548608 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9835890 | 0.79 | ALDH1A1 (0.56) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11546317 | 0.77 | ALDH1A1 (0.52) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C9 |
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-4139623-A | HYPOTENSIVE AGENTS | C-G CORP. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4027027-A | BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS | CIBA-GEIGY CORPORATION (US) | 1977-05-31 | — | — | US | disclosed |