Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11216478 | 0.85 | MEN1 (0.36) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL13767001 | 0.84 | CES2 (0.50) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL2187631 | 0.80 | CES2 (0.46) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL2187634 | 0.80 | CES2 (0.46) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL27514145 | 0.80 | CES2 (0.46) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL10433491 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TSHRLMNAHPGDCYP1A2 | |
| SCHEMBL17448574 | 0.78 | CES2 (0.45) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL16053233 | 0.78 | CES2 (0.45) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL24579284 | 0.77 | CES2 (0.43) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL7820881 | 0.77 | ALDH1A1 (0.57) | CES2CES1ALDH1A1POLBTSHR |
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-117285453-A | Method for synthesizing N-substituted-3-methylindole compound by catalyzing nitrogen heterocyclic carbene oxazoline ring palladium compound | 南京林业大学 | 2023-12-26 | — | — | CN | disclosed |