Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | ST14 | Q9Y5Y6 | 3/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28031668 | 0.84 | ST14 (0.52) | CYP2C19SMN1; SMN2ST14LOXL2MAOB | |
| SCHEMBL22356177 | 0.84 | SRC (0.54) | CYP2C19SMN1; SMN2ST14LOXL2MAOB | |
| SCHEMBL2169863 | 0.83 | CYP2C19 (0.69) | CYP2C19SMN1; SMN2BLM | |
| SCHEMBL27339665 | 0.82 | SRC (0.52) | CYP2C19SMN1; SMN2ST14LOXL2MAOB | |
| SCHEMBL28074545 | 0.82 | SMN1; SMN2 (0.47) | CYP2C19SMN1; SMN2ST14LOXL2MAOB | |
| SCHEMBL10814636 | 0.81 | CYP2C19 (0.62) | CYP2C19SMN1; SMN2BLM | |
| SCHEMBL28509160 | 0.81 | CYP2C19 (0.68) | CYP2C19SMN1; SMN2BLMANPEP | |
| SCHEMBL9889106 | 0.81 | SMN1; SMN2 (0.68) | CYP2C19SMN1; SMN2BLMANPEP | |
| SCHEMBL28106181 | 0.78 | ST14 (0.46) | CYP2C19SMN1; SMN2ST14LOXL2MAOB | |
| SCHEMBL27938230 | 0.78 | SRC (0.52) | CYP2C19SMN1; SMN2ST14LOXL2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-104926871-A | O,O-dialkyl-alpha-[3-bromo-1-(3-chloro-2-pyridyl)-1H-pyrazole-5-formyl]alkyl methylphosphonate derivative as well as preparation method and application thereof | XIAN MODERN CHEMISTRY RES INST | 2015-09-23 | — | — | CN | disclosed |