Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL31689432 | 0.84 | NOS3 (0.61) | NR3C1ALDH1A1SMN1; SMN2POLBNOS3 | |
| SCHEMBL10209790 | 0.83 | NR3C1 (0.52) | NR3C1ALDH1A1SMN1; SMN2POLBDRD2 | |
| SCHEMBL9506665 | 0.81 | LMNA (0.59) | ALDH1A1SMN1; SMN2ADRA2CADRA1AADRA1B | |
| SCHEMBL9437459 | 0.80 | ALDH1A1 (0.48) | NR3C1ALDH1A1SMN1; SMN2POLBDRD2 | |
| SCHEMBL9437458 | 0.80 | ALDH1A1 (0.48) | NR3C1ALDH1A1SMN1; SMN2POLBDRD2 | |
| SCHEMBL20491120 | 0.79 | HDAC6 (0.50) | NR3C1ALDH1A1SMN1; SMN2DRD2DRD4 | |
| SCHEMBL2284909 | 0.79 | HTR6 (0.64) | NR3C1ALDH1A1SMN1; SMN2POLBDRD2 | |
| SCHEMBL3560306 | 0.79 | IKBKB (0.58) | NR3C1ALDH1A1SMN1; SMN2POLBDRD2 | |
| SCHEMBL10652433 | 0.78 | NR3C1 (0.48) | NR3C1ALDH1A1SMN1; SMN2POLBDRD2 | |
| Hydrochloric Acid SCHEMBL2554758 | 0.78 | HTR6 (0.62) | NR3C1ALDH1A1SMN1; SMN2POLBDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0030030-A1 | Derivatives of 2-aminoethanol, processes for their preparation, pharmaceutical compositions containing such compounds and the use the latter | CIBA-GEIGY AG (CH) | 1981-06-10 | — | — | EP | disclosed |