Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 2/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28321957 | 0.83 | LMNA (0.39) | ALDH1A1MAPTHTTHPGDSMN1; SMN2 | |
| SCHEMBL28321925 | 0.83 | ALDH1A1 (0.35) | ALDH1A1MAPTCYP2C9CYP2D6HPGD | |
| SCHEMBL28321971 | 0.82 | TRPA1 (0.42) | ALDH1A1MAPTHTTNPC1POLB | |
| SCHEMBL28518519 | 0.80 | PTGS2 (0.37) | ALDH1A1MAPT | |
| SCHEMBL28322045 | 0.74 | GAA (0.39) | ALDH1A1MAPTCYP2D6HTTHPGD | |
| SCHEMBL28527075 | 0.72 | ALDH1A1 (0.41) | ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL29278796 | 0.68 | TYR (0.55) | ALDH1A1TYRMGLLCYP2C9CYP2D6 | |
| Water SCHEMBL11726962 | 0.68 | TYR (0.55) | ALDH1A1TYRMGLLCYP2C9CYP2D6 | |
| SCHEMBL955060 | 0.68 | TYR (0.41) | ALDH1A1ERBB2TYRMGLLMCL1 | |
| SCHEMBL26033137 | 0.68 | TYR (0.41) | ALDH1A1ERBB2TYRMGLLMCL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110240554-B | Alpha-thioether aryl acetonitrile compound and synthetic method thereof | 上海大学 | 2021-02-23 | — | — | CN | disclosed |
| CN-110240554-A | α-thioether aryl acetonitrile compound and its synthetic method | 上海大学 | 2019-09-17 | — | — | CN | disclosed |