Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.52 |
| ▸ | HPGD | P15428 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27847841 | 0.86 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Water SCHEMBL4564698 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Water SCHEMBL30762258 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Cyanate SCHEMBL22436247 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Pyrene SCHEMBL28959431 | 0.83 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL29906043 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL634848 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL6538859 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| SCHEMBL26440 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HSD17B10HPGDCYP1A2THRB | |
| Cyanide SCHEMBL28567593 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HSD17B10HPGDCYP1A2THRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115197114-A | Aromatic selenium cyanogen ester compound and green synthesis method and application thereof | 南宁师范大学 | 2022-10-18 | — | — | CN | claimed |
| CN-115197114-B | Aromatic selenocyanum compound and green synthesis method and application thereof | 南宁师范大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-115197114-A | Aromatic selenium cyanogen ester compound and green synthesis method and application thereof | 南宁师范大学 | 2022-10-18 | — | — | CN | disclosed |