Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 15/20 | 0.60 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.60 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.60 |
| ▸ | FPR1 | P21462 | 1/20 | 0.60 |
| ▸ | FPR3 | P25089 | 1/20 | 0.60 |
| ▸ | GPR183 | P32249 | 1/20 | 0.60 |
| ▸ | APLNR | P35414 | 1/20 | 0.60 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5606667 | 0.84 | FFAR1 (0.57) | FFAR1FFAR4CHRM2S1PR1FPR1 | |
| SCHEMBL30446278 | 0.84 | FFAR1 (0.57) | FFAR1FFAR4CHRM2S1PR1FPR1 | |
| SCHEMBL28432488 | 0.82 | FFAR1 (0.56) | FFAR1FFAR4CHRM2S1PR1FPR1 | |
| SCHEMBL28099438 | 0.81 | VCP (0.54) | FFAR1FFAR4NPC1RAB9ASMN1; SMN2 | |
| O-Xylene SCHEMBL28108594 | 0.75 | TSHR (0.53) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL1551462 | 0.75 | FFAR1 (1.00) | FFAR1FFAR4CHRM2S1PR1FPR1 | |
| SCHEMBL1551461 | 0.75 | FFAR1 (1.00) | FFAR1FFAR4CHRM2S1PR1FPR1 | |
| SCHEMBL29358680 | 0.75 | FFAR1 (1.00) | FFAR1FFAR4CHRM2S1PR1FPR1 | |
| SCHEMBL8449935 | 0.74 | FFAR1 (0.60) | FFAR1FFAR4CHRM2S1PR1FPR1 | |
| SCHEMBL28096771 | 0.73 | FFAR1 (0.56) | FFAR1NPC1RAB9AMEN1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106316817-B | A kind of synthetic method of 2- substitution -1,4-naphthoquinone analog derivative | 浙江工业大学 | 2019-05-31 | — | — | CN | disclosed |
| CN-106316819-B | A kind of synthetic method of 2- substitution -1,4-naphthoquinone class compound | 浙江工业大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-106316817-A | Synthetic method for 2-substituted-1,4-naphthoquinone derivatives | 浙江工业大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-106316819-A | Method for synthesizing 2-substituted-1,4-naphthoquinone compound | 浙江工业大学 | 2017-01-11 | — | — | CN | disclosed |