Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18641149 | 1.00 | CES1 (0.44) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL17787002 | 0.85 | ALOX15 (0.41) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL5698372 | 0.75 | CES1 (0.52) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL27908851 | 0.75 | CES1 (0.52) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL21457582 | 0.75 | ALDH1A1 (0.46) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL9818176 | 0.75 | CES1 (0.52) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL20564213 | 0.73 | CES1 (0.50) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL291408 | 0.73 | CYP2C19 (0.43) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL20564211 | 0.73 | CES1 (0.50) | CES1CES2MAPTALDH1A1LMNA | |
| SCHEMBL8158420 | 0.73 | CES1 (0.50) | CES1CES2MAPTALDH1A1LMNA |
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-108713013-A | Heterocyclic compound | 住友化学株式会社 | 2018-10-26 | — | — | CN | disclosed |