Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28067210 | 0.86 | LMNA (0.41) | ALDH1A1L3MBTL1PKMFFAR1MAPK1 | |
| Acetic Acid SCHEMBL28536489 | 0.85 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1GAALMNACYP2C19 | |
| Acetic Acid Methyl Ester SCHEMBL23070551 | 0.85 | CYP2C19 (0.53) | ALDH1A1L3MBTL1PKMFFAR1MAPK1 | |
| SCHEMBL28121204 | 0.84 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1PKMGAACYP2C19 | |
| SCHEMBL8450 | 0.82 | IDO1 (0.44) | CYP2C19POLB | |
| SCHEMBL28063243 | 0.82 | MTNR1A (0.41) | ALDH1A1L3MBTL1LMNACYP2C9 | |
| SCHEMBL10519643 | 0.81 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1PKMFFAR1MAPK1 | |
| Acetic Acid SCHEMBL28365922 | 0.81 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1PKMFFAR1MAPK1 | |
| Water SCHEMBL28337532 | 0.80 | IDO1 (0.43) | CYP2C19POLB | |
| Phenylacetaldehyde SCHEMBL29232774 | 0.77 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1GAALMNACTRB1 |
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-110483352-B | Co-production method of thiourethane and benzyl thioether-based acetic acid and application of co-production method in flotation | 中南大学 | 2021-03-16 | — | — | CN | claimed |
| CN-110523541-B | Alkyl thioether ether ethyl hydroximic acid medicament and preparation method and application thereof | 中南大学 | 2021-09-28 | — | — | CN | disclosed |
| CN-110563621-B | Method for utilizing byproduct sodium 2-mercaptoacetate in thiourethane production process | 中南大学 | 2021-01-22 | — | — | CN | disclosed |