Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8881340 | 0.83 | CES2 (0.50) | CES2CES1LMNAALDH1A1APAF1 | |
| SCHEMBL11863813 | 0.82 | CYP1A2 (0.44) | CES2CES1LMNAALDH1A1CYP2D6 | |
| SCHEMBL11566668 | 0.82 | TDP1 (0.53) | CES2CES1LMNAALDH1A1TDP1 | |
| SCHEMBL3301641 | 0.80 | ALOX5 (0.47) | CES2CES1LMNAALDH1A1APAF1 | |
| SCHEMBL6297351 | 0.79 | CES2 (0.50) | CES2CES1LMNAALDH1A1TDP1 | |
| SCHEMBL28213572 | 0.79 | CYP2D6 (0.43) | CES2CES1LMNACYP2D6SRC | |
| SCHEMBL11867880 | 0.78 | LMNA (0.45) | CES2CES1LMNACYP2D6SRC | |
| SCHEMBL28200030 | 0.78 | CYP2D6 (0.52) | CES2CES1LMNAALDH1A1CYP2D6 | |
| SCHEMBL13168073 | 0.77 | KMT2A (0.58) | CES2CES1LMNAALDH1A1L3MBTL1 | |
| SCHEMBL13168063 | 0.77 | LMNA (0.49) | CES2CES1LMNAAPAF1HSD17B10 |
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-109415355-A | Benzdioxan derivative and its medicinal usage | 奥赖恩公司 | 2019-03-01 | — | — | CN | disclosed |