Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 10/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | MMP15 | P51511 | 1/20 | 0.46 |
| ▸ | MMP16 | P51512 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL6344517 | 0.82 | LMNA (0.55) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Toluene SCHEMBL28204715 | 0.82 | LMNA (0.55) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL15014207 | 0.82 | APP (0.67) | VCPFFAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10091202 | 0.82 | APP (0.67) | VCPFFAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2831992 | 0.82 | APP (0.67) | VCPFFAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28099433 | 0.81 | FFAR1 (0.60) | FFAR1NPC1RAB9AHTTSMN1; SMN2 | |
| SCHEMBL28096771 | 0.81 | FFAR1 (0.56) | FFAR1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL9715641 | 0.80 | APP (0.63) | VCPFFAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6368721 | 0.79 | VCP (0.66) | VCPFFAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28033841 | 0.78 | FFAR1 (0.57) | FFAR1NPC1RAB9ASMN1; SMN2MAPT |
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 |