Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL7080066 | 1.00 | CES2 (0.52) | CES2CES1KMT2AMEN1NFE2L2 | |
| SCHEMBL4238493 | 0.82 | NFE2L2 (0.46) | CES2CES1KMT2AMEN1NFE2L2 | |
| SCHEMBL4238499 | 0.82 | NFE2L2 (0.46) | CES2CES1KMT2AMEN1NFE2L2 | |
| SCHEMBL1536421 | 0.82 | NFE2L2 (0.46) | CES2CES1KMT2AMEN1NFE2L2 | |
| SCHEMBL1536420 | 0.82 | NFE2L2 (0.46) | CES2CES1KMT2AMEN1NFE2L2 | |
| SCHEMBL3809749 | 0.82 | NFE2L2 (0.46) | CES2CES1KMT2AMEN1NFE2L2 | |
| SCHEMBL4238491 | 0.82 | NFE2L2 (0.46) | CES2CES1KMT2AMEN1NFE2L2 | |
| SCHEMBL8341085 | 0.81 | CES2 (0.48) | CES2CES1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL8341086 | 0.81 | CES2 (0.48) | CES2CES1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL28417302 | 0.80 | NFE2L2 (0.61) | CES2CES1KMT2AMEN1NFE2L2 |
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-102617419-B | One-pot synthesis method of conjugate eneyne thioether | UNIV HUNAN | 2014-03-05 | — | — | CN | disclosed |
| WO-2003050105-A2 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | CHEMINOVA A/S (DK) | 2003-06-19 | — | — | WO | disclosed |
| US-4637863-A | ELECTROCHEMICAL REDUCTION OF ORGANIC HALIDES IN PRESENCE OF CARBONYL DERIVATIVES | SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) | 1987-01-20 | — | — | US | disclosed |