Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.59 |
| ▸ | NOS1 | P29475 | 1/20 | 0.59 |
| ▸ | NOS2 | P35228 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL30471705 | 0.74 | NOS3 (0.92) | NOS3NOS1NOS2KDM4ENPC1 | |
| SCHEMBL8330175 | 0.74 | NOS3 (1.00) | NOS3NOS1NOS2KDM4ENPC1 | |
| SCHEMBL18816577 | 0.69 | NOS3 (0.49) | NOS3NOS1NOS2NPC1HRH3 | |
| SCHEMBL29203098 | 0.69 | NOS3 (0.49) | NOS3NOS1NOS2CYP1A2 | |
| Hydrochloric Acid SCHEMBL18794988 | 0.68 | NOS3 (0.47) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL26311908 | 0.68 | ALDH1A1 (0.43) | ALDH1A1KDM4ELMNANPC1MAPT | |
| SCHEMBL26330063 | 0.68 | HRH2 (0.45) | ALDH1A1KDM4ELMNANPC1MAPT | |
| SCHEMBL25847588 | 0.66 | ACHE (0.70) | ALDH1A1KDM4ELMNAACHECYP1A2 | |
| SCHEMBL856193 | 0.66 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNANPC1MAPT | |
| SCHEMBL24373917 | 0.63 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNANPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991017979-A1 | PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES | DSM N.V. (NL) | 1991-11-28 | — | — | WO | disclosed |