Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.50 |
| ▸ | CHRNG | P07510 | 1/20 | 0.50 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | CHRND | Q07001 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL9719861 | 0.81 | CA12 (0.52) | PARP1POLBNPC1RAB9A | |
| SCHEMBL27850070 | 0.80 | PARP1 (0.52) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL13002178 | 0.80 | CES2 (0.56) | PARP1SLC6A2SLC6A3CHRNB2CHRNB4 | |
| SCHEMBL8524104 | 0.79 | KMO (0.55) | HDAC8SMN1; SMN2HPGDMEN1KMT2A | |
| SCHEMBL25247146 | 0.79 | PARP1 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL29923066 | 0.79 | PARP1 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL585998 | 0.79 | PARP1 (0.59) | PARP1SLC6A2SLC6A3CHRNA1CHRNG | |
| SCHEMBL2266455 | 0.78 | CTNNB1 (0.51) | PARP1HDAC8HDAC6SMN1; SMN2CTNNB1 | |
| SCHEMBL26712 | 0.78 | TSHR (0.52) | KCNH2MEN1KMT2ATDP1POLB | |
| Benzene SCHEMBL27641543 | 0.78 | TSHR (0.52) | KCNH2MEN1KMT2ATDP1POLB |
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-108530273-A | A kind of synthetic method of 2,4- dimethoxy-toluenes base -4- propyl diphenol | 武汉桀升生物科技有限公司 | 2018-09-14 | — | — | CN | disclosed |